1-acetyl-N-[3-[(1R,5S)-3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide

C34H47ClN6O3 — CID 143350096

IUPAC1-acetyl-N-[3-[(1R,5S)-3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(CCCN2[C@@H]3CC[C@H]2CC(n2c(C)nc4c2CCN(C(C)=O)C4)C3)c2ccc(C)c(Cl)c2)CC1
InChIInChI=1S/C34H47ClN6O3/c1-22-6-7-29(20-31(22)35)40(34(44)26-10-15-37(16-11-26)24(3)42)14-5-13-39-27-8-9-28(39)19-30(18-27)41-23(2)36-32-21-38(25(4)43)17-12-33(32)41/h6-7,20,26-28,30H,5,8-19,21H2,1-4H3/t27-,28+,30?
InChIKeyLTNAJJWCLNZEOV-SCPSXFHPSA-N
MW623.24 g/mol
LogP4.91
Rot. Bonds7

About 1-acetyl-N-[3-[(1R,5S)-3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide

1-acetyl-N-[3-[(1R,5S)-3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide (PubChem CID 143350096) has the molecular formula C34H47ClN6O3 and a molecular weight of 623.24 g/mol. Its IUPAC name is 1-acetyl-N-[3-[(1R,5S)-3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[3-[(1R,5S)-3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
PubChem CID143350096
Molecular FormulaC34H47ClN6O3
Molecular Weight623.24 g/mol
Exact Mass622.34
IUPAC Name1-acetyl-N-[3-[(1R,5S)-3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(CCCN2[C@@H]3CC[C@H]2CC(n2c(C)nc4c2CCN(C(C)=O)C4)C3)c2ccc(C)c(Cl)c2)CC1
InChIInChI=1S/C34H47ClN6O3/c1-22-6-7-29(20-31(22)35)40(34(44)26-10-15-37(16-11-26)24(3)42)14-5-13-39-27-8-9-28(39)19-30(18-27)41-23(2)36-32-21-38(25(4)43)17-12-33(32)41/h6-7,20,26-28,30H,5,8-19,21H2,1-4H3/t27-,28+,30?
InChIKeyLTNAJJWCLNZEOV-SCPSXFHPSA-N
XLogP4.91
TPSA81.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500623.24
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-acetyl-N-[3-[(1R,5S)-3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[3-[(1R,5S)-3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[3-[(1R,5S)-3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide (CID 143350096) is 1-acetyl-N-[3-[(1R,5S)-3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[3-[(1R,5S)-3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[3-[(1R,5S)-3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)N(CCCN2[C@@H]3CC[C@H]2CC(n2c(C)nc4c2CCN(C(C)=O)C4)C3)c2ccc(C)c(Cl)c2)CC1.
What is the InChIKey of 1-acetyl-N-[3-[(1R,5S)-3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide?
The InChIKey is LTNAJJWCLNZEOV-SCPSXFHPSA-N. The full InChI is InChI=1S/C34H47ClN6O3/c1-22-6-7-29(20-31(22)35)40(34(44)26-10-15-37(16-11-26)24(3)42)14-5-13-39-27-8-9-28(39)19-30(18-27)41-23(2)36-32-21-38(25(4)43)17-12-33(32)41/h6-7,20,26-28,30H,5,8-19,21H2,1-4H3/t27-,28+,30?.
What are the key properties of 1-acetyl-N-[3-[(1R,5S)-3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide?
1-acetyl-N-[3-[(1R,5S)-3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide has a molecular weight of 623.24 g/mol, XLogP of 4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[3-[(1R,5S)-3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 143350096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).