N-tert-butyl-1-[3-(4-chlorophenyl)-2-[[2-(5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-5-yl)acetyl]amino]propanoyl]-4-cyclohexylpiperidine-4-carboxamide

C34H47ClN6O3 — CID 22949107

IUPACN-tert-butyl-1-[3-(4-chlorophenyl)-2-[[2-(5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-5-yl)acetyl]amino]propanoyl]-4-cyclohexylpiperidine-4-carboxamide
SMILESCC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)C(Cc2ccc(Cl)cc2)NC(=O)CC2NCCc3nccnc32)CC1
InChIInChI=1S/C34H47ClN6O3/c1-33(2,3)40-32(44)34(24-7-5-4-6-8-24)14-19-41(20-15-34)31(43)28(21-23-9-11-25(35)12-10-23)39-29(42)22-27-30-26(13-16-36-27)37-17-18-38-30/h9-12,17-18,24,27-28,36H,4-8,13-16,19-22H2,1-3H3,(H,39,42)(H,40,44)
InChIKeyNVSIFYGIWDORQM-UHFFFAOYSA-N
MW623.24 g/mol
LogP4.54
Rot. Bonds8

About N-tert-butyl-1-[3-(4-chlorophenyl)-2-[[2-(5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-5-yl)acetyl]amino]propanoyl]-4-cyclohexylpiperidine-4-carboxamide

N-tert-butyl-1-[3-(4-chlorophenyl)-2-[[2-(5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-5-yl)acetyl]amino]propanoyl]-4-cyclohexylpiperidine-4-carboxamide (PubChem CID 22949107) has the molecular formula C34H47ClN6O3 and a molecular weight of 623.24 g/mol. Its IUPAC name is N-tert-butyl-1-[3-(4-chlorophenyl)-2-[[2-(5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-5-yl)acetyl]amino]propanoyl]-4-cyclohexylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-[3-(4-chlorophenyl)-2-[[2-(5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-5-yl)acetyl]amino]propanoyl]-4-cyclohexylpiperidine-4-carboxamide
PubChem CID22949107
Molecular FormulaC34H47ClN6O3
Molecular Weight623.24 g/mol
Exact Mass622.34
IUPAC NameN-tert-butyl-1-[3-(4-chlorophenyl)-2-[[2-(5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-5-yl)acetyl]amino]propanoyl]-4-cyclohexylpiperidine-4-carboxamide
SMILESCC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)C(Cc2ccc(Cl)cc2)NC(=O)CC2NCCc3nccnc32)CC1
InChIInChI=1S/C34H47ClN6O3/c1-33(2,3)40-32(44)34(24-7-5-4-6-8-24)14-19-41(20-15-34)31(43)28(21-23-9-11-25(35)12-10-23)39-29(42)22-27-30-26(13-16-36-27)37-17-18-38-30/h9-12,17-18,24,27-28,36H,4-8,13-16,19-22H2,1-3H3,(H,39,42)(H,40,44)
InChIKeyNVSIFYGIWDORQM-UHFFFAOYSA-N
XLogP4.54
TPSA116.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500623.24
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-tert-butyl-1-[3-(4-chlorophenyl)-2-[[2-(5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-5-yl)acetyl]amino]propanoyl]-4-cyclohexylpiperidine-4-carboxamide with MolForge

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Related Compounds

N-tert-butyl-1-[3-(4-chlorophenyl)-2-[[2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl]amino]propanoyl]-4-(oxan-4-yl)piperidine-4-carboxamide
CID 22949106
(2R)-N-[(2R)-1-[4-(tert-butylcarbamoyl)-4-cyclohexylpiperidin-1-yl]-3-(4-chlorophenyl)-1-oxopropan-2-yl]-4-methylpiperazine-2-carboxamide
CID 10120800
N-[(2R)-1-(4-acetamido-4-cyclohexylpiperidin-1-yl)-3-(4-chlorophenyl)-1-oxopropan-2-yl]-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
CID 142031665
N-[(2R)-1-[4-(tert-butylcarbamoyl)-4-cyclohexylpiperidin-1-yl]-3-(4-chlorophenyl)-1-oxopropan-2-yl]-4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridine-2-carboxamide;ethane
CID 142031635
N-tert-butyl-1-[(2R)-3-(4-chlorophenyl)-2-[(6-fluoro-4-oxochromene-2-carbonyl)amino]propanoyl]-4-cyclohexylpiperidine-4-carboxamide
CID 58733027
N-tert-butyl-4-cyclohexyl-1-[(2R)-3-(4-fluorophenyl)-2-methylpropanoyl]piperidine-4-carboxamide
CID 59877493
N-[3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[(5,5-dimethyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
CID 22949141
N-tert-butyl-1-[(2R)-3-(4-chlorophenyl)-2-[[4-oxo-6-(trifluoromethylsulfanyl)chromene-2-carbonyl]amino]propanoyl]-4-cyclohexylpiperidine-4-carboxamide
CID 58733152
(2R)-N-[(2R)-1-[4-(tert-butylcarbamoyl)-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-4-methylpiperazine-2-carboxamide;dihydrochloride
CID 90664642
N-[(2R)-1-[4-(tert-butylcarbamoyl)-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-3,3-dimethylpiperazine-1-carboxamide
CID 10053790
(2S,5S)-N-[(2R)-1-[4-(tert-butylcarbamoyl)-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-cyclopropylpiperazine-2-carboxamide;dihydrochloride
CID 45263244
N-[(2R)-1-[4-(tert-butylcarbamoyl)-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-propan-2-yl-1,4-diazabicyclo[2.2.2]octane-2-carboxamide
CID 10211053

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[3-(4-chlorophenyl)-2-[[2-(5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-5-yl)acetyl]amino]propanoyl]-4-cyclohexylpiperidine-4-carboxamide?
The IUPAC name of N-tert-butyl-1-[3-(4-chlorophenyl)-2-[[2-(5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-5-yl)acetyl]amino]propanoyl]-4-cyclohexylpiperidine-4-carboxamide (CID 22949107) is N-tert-butyl-1-[3-(4-chlorophenyl)-2-[[2-(5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-5-yl)acetyl]amino]propanoyl]-4-cyclohexylpiperidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-1-[3-(4-chlorophenyl)-2-[[2-(5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-5-yl)acetyl]amino]propanoyl]-4-cyclohexylpiperidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-1-[3-(4-chlorophenyl)-2-[[2-(5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-5-yl)acetyl]amino]propanoyl]-4-cyclohexylpiperidine-4-carboxamide is CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)C(Cc2ccc(Cl)cc2)NC(=O)CC2NCCc3nccnc32)CC1.
What is the InChIKey of N-tert-butyl-1-[3-(4-chlorophenyl)-2-[[2-(5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-5-yl)acetyl]amino]propanoyl]-4-cyclohexylpiperidine-4-carboxamide?
The InChIKey is NVSIFYGIWDORQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H47ClN6O3/c1-33(2,3)40-32(44)34(24-7-5-4-6-8-24)14-19-41(20-15-34)31(43)28(21-23-9-11-25(35)12-10-23)39-29(42)22-27-30-26(13-16-36-27)37-17-18-38-30/h9-12,17-18,24,27-28,36H,4-8,13-16,19-22H2,1-3H3,(H,39,42)(H,40,44).
What are the key properties of N-tert-butyl-1-[3-(4-chlorophenyl)-2-[[2-(5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-5-yl)acetyl]amino]propanoyl]-4-cyclohexylpiperidine-4-carboxamide?
N-tert-butyl-1-[3-(4-chlorophenyl)-2-[[2-(5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-5-yl)acetyl]amino]propanoyl]-4-cyclohexylpiperidine-4-carboxamide has a molecular weight of 623.24 g/mol, XLogP of 4.54, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[3-(4-chlorophenyl)-2-[[2-(5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-5-yl)acetyl]amino]propanoyl]-4-cyclohexylpiperidine-4-carboxamide is sourced from PubChem (CID 22949107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).