N-[4-[1-(3-chlorobenzoyl)piperidin-4-yl]butyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide

C24H27ClN4O2 — CID 163599313

IUPACN-[4-[1-(3-chlorobenzoyl)piperidin-4-yl]butyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NCCCCC1CCN(C(=O)c2cccc(Cl)c2)CC1)C1C=c2cnccc2=N1
InChIInChI=1S/C24H27ClN4O2/c25-20-6-3-5-18(14-20)24(31)29-12-8-17(9-13-29)4-1-2-10-27-23(30)22-15-19-16-26-11-7-21(19)28-22/h3,5-7,11,14-17,22H,1-2,4,8-10,12-13H2,(H,27,30)
InChIKeyGWFVHLAGWCPHQT-UHFFFAOYSA-N
MW438.96 g/mol
LogP2.36
Rot. Bonds7

About N-[4-[1-(3-chlorobenzoyl)piperidin-4-yl]butyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide

N-[4-[1-(3-chlorobenzoyl)piperidin-4-yl]butyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 163599313) has the molecular formula C24H27ClN4O2 and a molecular weight of 438.96 g/mol. Its IUPAC name is N-[4-[1-(3-chlorobenzoyl)piperidin-4-yl]butyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(3-chlorobenzoyl)piperidin-4-yl]butyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID163599313
Molecular FormulaC24H27ClN4O2
Molecular Weight438.96 g/mol
Exact Mass438.18
IUPAC NameN-[4-[1-(3-chlorobenzoyl)piperidin-4-yl]butyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NCCCCC1CCN(C(=O)c2cccc(Cl)c2)CC1)C1C=c2cnccc2=N1
InChIInChI=1S/C24H27ClN4O2/c25-20-6-3-5-18(14-20)24(31)29-12-8-17(9-13-29)4-1-2-10-27-23(30)22-15-19-16-26-11-7-21(19)28-22/h3,5-7,11,14-17,22H,1-2,4,8-10,12-13H2,(H,27,30)
InChIKeyGWFVHLAGWCPHQT-UHFFFAOYSA-N
XLogP2.36
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[1-(4-propan-2-yl-1,3-oxazole-5-carbonyl)piperidin-4-yl]butyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 162119231
N-[4-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]butyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 129142653
1-[(4-chlorophenyl)methyl]-3-[4-[1-(pyridine-3-carbonyl)piperidin-4-yl]butyl]urea
CID 166835094
(3-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248550
N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
CID 70983195
(3-chlorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 110869857
(3-chlorophenyl)-(4-propylazepan-1-yl)methanone
CID 142181487
1-(3-chlorobenzoyl)-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide
CID 113003453
(3-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551547
[3-[4-[4-(3-pyridin-3-ylprop-2-enoylamino)butyl]piperidine-1-carbonyl]phenyl] carbamate
CID 175007745
N-[4-(1-benzoylpiperidin-4-yl)butyl]-3-pyridin-3-ylprop-2-enamide;hydrochloride
CID 146159435
N-[6-(1-benzoylpiperidin-4-yl)hexyl]-3-pyridin-3-ylprop-2-enamide
CID 68649734

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3-chlorobenzoyl)piperidin-4-yl]butyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-[4-[1-(3-chlorobenzoyl)piperidin-4-yl]butyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 163599313) is N-[4-[1-(3-chlorobenzoyl)piperidin-4-yl]butyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[1-(3-chlorobenzoyl)piperidin-4-yl]butyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[1-(3-chlorobenzoyl)piperidin-4-yl]butyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide is O=C(NCCCCC1CCN(C(=O)c2cccc(Cl)c2)CC1)C1C=c2cnccc2=N1.
What is the InChIKey of N-[4-[1-(3-chlorobenzoyl)piperidin-4-yl]butyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is GWFVHLAGWCPHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2/c25-20-6-3-5-18(14-20)24(31)29-12-8-17(9-13-29)4-1-2-10-27-23(30)22-15-19-16-26-11-7-21(19)28-22/h3,5-7,11,14-17,22H,1-2,4,8-10,12-13H2,(H,27,30).
What are the key properties of N-[4-[1-(3-chlorobenzoyl)piperidin-4-yl]butyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide?
N-[4-[1-(3-chlorobenzoyl)piperidin-4-yl]butyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 438.96 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3-chlorobenzoyl)piperidin-4-yl]butyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 163599313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).