N-[(2R)-1-[4-[butyl(methyl)carbamoyl]-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-6-methylpiperazine-2-carboxamide

C32H50FN5O3 — CID 142087563

IUPACN-[(2R)-1-[4-[butyl(methyl)carbamoyl]-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-6-methylpiperazine-2-carboxamide
SMILESCCCCN(C)C(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C2CNCC(C)N2)CC1
InChIInChI=1S/C32H50FN5O3/c1-4-5-17-37(3)31(41)32(25-9-7-6-8-10-25)15-18-38(19-16-32)30(40)27(20-24-11-13-26(33)14-12-24)36-29(39)28-22-34-21-23(2)35-28/h11-14,23,25,27-28,34-35H,4-10,15-22H2,1-3H3,(H,36,39)/t23?,27-,28?/m1/s1
InChIKeyVJRAWVBTPZGLDC-OXOHJMPHSA-N
MW571.78 g/mol
LogP3.25
Rot. Bonds10

About N-[(2R)-1-[4-[butyl(methyl)carbamoyl]-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-6-methylpiperazine-2-carboxamide

N-[(2R)-1-[4-[butyl(methyl)carbamoyl]-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-6-methylpiperazine-2-carboxamide (PubChem CID 142087563) has the molecular formula C32H50FN5O3 and a molecular weight of 571.78 g/mol. Its IUPAC name is N-[(2R)-1-[4-[butyl(methyl)carbamoyl]-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-6-methylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[4-[butyl(methyl)carbamoyl]-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-6-methylpiperazine-2-carboxamide
PubChem CID142087563
Molecular FormulaC32H50FN5O3
Molecular Weight571.78 g/mol
Exact Mass571.39
IUPAC NameN-[(2R)-1-[4-[butyl(methyl)carbamoyl]-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-6-methylpiperazine-2-carboxamide
SMILESCCCCN(C)C(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C2CNCC(C)N2)CC1
InChIInChI=1S/C32H50FN5O3/c1-4-5-17-37(3)31(41)32(25-9-7-6-8-10-25)15-18-38(19-16-32)30(40)27(20-24-11-13-26(33)14-12-24)36-29(39)28-22-34-21-23(2)35-28/h11-14,23,25,27-28,34-35H,4-10,15-22H2,1-3H3,(H,36,39)/t23?,27-,28?/m1/s1
InChIKeyVJRAWVBTPZGLDC-OXOHJMPHSA-N
XLogP3.25
TPSA93.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.78
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-1-[4-[butyl(methyl)carbamoyl]-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-6-methylpiperazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-1-(4-acetyl-4-cyclohexylpiperidin-1-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-6-methylpiperazine-2-carboxamide
CID 59877461
(2S)-N-[(2R)-1-[4-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]piperazine-2-carboxamide
CID 10188169
ethyl 4-cyclohexyl-1-[(2R)-3-(4-fluorophenyl)-2-[[(2R)-4-methylpiperazine-2-carbonyl]amino]propanoyl]piperidine-4-carboxylate
CID 10186772
ethyl 4-cyclohexyl-1-[(2R)-2-[[(2S)-4-ethylpiperazine-2-carbonyl]amino]-3-(4-fluorophenyl)propanoyl]piperidine-4-carboxylate
CID 10143768
N-[3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(dimethylcarbamoyl)piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 22949144
(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
ethyl 4-cyclohexyl-1-[(2R)-2-[[(2S)-4-(2-ethoxy-2-oxoethyl)piperazine-2-carbonyl]amino]-3-(4-fluorophenyl)propanoyl]piperidine-4-carboxylate
CID 10121512
(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
(2S)-4-(2-aminopropanoyl)-N-[(2R)-1-[4-(tert-butylcarbamoyl)-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]piperazine-2-carboxamide
CID 10211121
(1S,4R,6R)-N-[(2R)-1-[4-(tert-butylcarbamoyl)-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-2-azabicyclo[2.2.2]octane-6-carboxamide
CID 71452720
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
N-tert-butyl-4-cyclohexyl-1-[(2R)-3-(4-fluorophenyl)-2-methylpropanoyl]piperidine-4-carboxamide
CID 59877493

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[4-[butyl(methyl)carbamoyl]-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-6-methylpiperazine-2-carboxamide?
The IUPAC name of N-[(2R)-1-[4-[butyl(methyl)carbamoyl]-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-6-methylpiperazine-2-carboxamide (CID 142087563) is N-[(2R)-1-[4-[butyl(methyl)carbamoyl]-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-6-methylpiperazine-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-[4-[butyl(methyl)carbamoyl]-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-6-methylpiperazine-2-carboxamide?
The canonical SMILES for N-[(2R)-1-[4-[butyl(methyl)carbamoyl]-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-6-methylpiperazine-2-carboxamide is CCCCN(C)C(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C2CNCC(C)N2)CC1.
What is the InChIKey of N-[(2R)-1-[4-[butyl(methyl)carbamoyl]-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-6-methylpiperazine-2-carboxamide?
The InChIKey is VJRAWVBTPZGLDC-OXOHJMPHSA-N. The full InChI is InChI=1S/C32H50FN5O3/c1-4-5-17-37(3)31(41)32(25-9-7-6-8-10-25)15-18-38(19-16-32)30(40)27(20-24-11-13-26(33)14-12-24)36-29(39)28-22-34-21-23(2)35-28/h11-14,23,25,27-28,34-35H,4-10,15-22H2,1-3H3,(H,36,39)/t23?,27-,28?/m1/s1.
What are the key properties of N-[(2R)-1-[4-[butyl(methyl)carbamoyl]-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-6-methylpiperazine-2-carboxamide?
N-[(2R)-1-[4-[butyl(methyl)carbamoyl]-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-6-methylpiperazine-2-carboxamide has a molecular weight of 571.78 g/mol, XLogP of 3.25, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[4-[butyl(methyl)carbamoyl]-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-6-methylpiperazine-2-carboxamide is sourced from PubChem (CID 142087563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).