N-butyl-3-chloro-N-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]benzamide

C29H40ClN5O2 — CID 11956787

IUPACN-butyl-3-chloro-N-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]benzamide
SMILESCCCCN(C(=O)c1cccc(Cl)c1)c1nc2n(c1C(=O)N1CCC(N3CCCCC3)CC1)CCCC2
InChIInChI=1S/C29H40ClN5O2/c1-2-3-17-35(28(36)22-10-9-11-23(30)21-22)27-26(34-18-8-5-12-25(34)31-27)29(37)33-19-13-24(14-20-33)32-15-6-4-7-16-32/h9-11,21,24H,2-8,12-20H2,1H3
InChIKeyRCGDHOOJGXYSLI-UHFFFAOYSA-N
MW526.13 g/mol
LogP5.41
Rot. Bonds7

About N-butyl-3-chloro-N-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]benzamide

N-butyl-3-chloro-N-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]benzamide (PubChem CID 11956787) has the molecular formula C29H40ClN5O2 and a molecular weight of 526.13 g/mol. Its IUPAC name is N-butyl-3-chloro-N-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]benzamide.

Molecular Properties

Compound NameN-butyl-3-chloro-N-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]benzamide
PubChem CID11956787
Molecular FormulaC29H40ClN5O2
Molecular Weight526.13 g/mol
Exact Mass525.29
IUPAC NameN-butyl-3-chloro-N-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]benzamide
SMILESCCCCN(C(=O)c1cccc(Cl)c1)c1nc2n(c1C(=O)N1CCC(N3CCCCC3)CC1)CCCC2
InChIInChI=1S/C29H40ClN5O2/c1-2-3-17-35(28(36)22-10-9-11-23(30)21-22)27-26(34-18-8-5-12-25(34)31-27)29(37)33-19-13-24(14-20-33)32-15-6-4-7-16-32/h9-11,21,24H,2-8,12-20H2,1H3
InChIKeyRCGDHOOJGXYSLI-UHFFFAOYSA-N
XLogP5.41
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.13
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-3-chloro-N-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]benzamide
CID 11956515
N-butyl-3-chloro-N-[3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]benzamide
CID 57465120
2-[butyl-(3-chlorobenzoyl)amino]-N-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 68766886
2-[butyl-(3-chlorobenzoyl)amino]-N-(2-phenoxyethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 11956850
2-[butyl-(3-chlorobenzoyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 140532381
N-[3-[4-(1-amino-3-methyl-1-oxobutan-2-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-N-butyl-3,4-difluorobenzamide
CID 68769441
benzyl (2S)-2-amino-3-methylbutanoate;benzyl (2S)-2-[[2-[butyl-(3-chlorobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-methylbutanoate;2-[butyl-(3-chlorobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid;molecular hydrogen
CID 158502376
(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 7026509
N-butyl-N-[3-(ethoxymethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-2-yl]-3,4-difluorobenzamide
CID 143304802
(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;oxalic acid
CID 90483391
2-[(3-chlorobenzoyl)-methylamino]-N-[(2,4-difluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 11956730
(3-chlorophenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone
CID 3824852

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-chloro-N-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]benzamide?
The IUPAC name of N-butyl-3-chloro-N-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]benzamide (CID 11956787) is N-butyl-3-chloro-N-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]benzamide.
What is the SMILES notation for N-butyl-3-chloro-N-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]benzamide?
The canonical SMILES for N-butyl-3-chloro-N-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]benzamide is CCCCN(C(=O)c1cccc(Cl)c1)c1nc2n(c1C(=O)N1CCC(N3CCCCC3)CC1)CCCC2.
What is the InChIKey of N-butyl-3-chloro-N-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]benzamide?
The InChIKey is RCGDHOOJGXYSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40ClN5O2/c1-2-3-17-35(28(36)22-10-9-11-23(30)21-22)27-26(34-18-8-5-12-25(34)31-27)29(37)33-19-13-24(14-20-33)32-15-6-4-7-16-32/h9-11,21,24H,2-8,12-20H2,1H3.
What are the key properties of N-butyl-3-chloro-N-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]benzamide?
N-butyl-3-chloro-N-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]benzamide has a molecular weight of 526.13 g/mol, XLogP of 5.41, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-chloro-N-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]benzamide is sourced from PubChem (CID 11956787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).