N-[3-(1-benzoylpiperidin-3-yl)propyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

C23H26N4O2 — CID 126510184

IUPACN-[3-(1-benzoylpiperidin-3-yl)propyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NCCCC1CCCN(C(=O)c2ccccc2)C1)c1cc2cnccc2[nH]1
InChIInChI=1S/C23H26N4O2/c28-22(21-14-19-15-24-12-10-20(19)26-21)25-11-4-6-17-7-5-13-27(16-17)23(29)18-8-2-1-3-9-18/h1-3,8-10,12,14-15,17,26H,4-7,11,13,16H2,(H,25,28)
InChIKeyBSAROBASCXLVHO-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.63
Rot. Bonds6

About N-[3-(1-benzoylpiperidin-3-yl)propyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

N-[3-(1-benzoylpiperidin-3-yl)propyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 126510184) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[3-(1-benzoylpiperidin-3-yl)propyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1-benzoylpiperidin-3-yl)propyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID126510184
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[3-(1-benzoylpiperidin-3-yl)propyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NCCCC1CCCN(C(=O)c2ccccc2)C1)c1cc2cnccc2[nH]1
InChIInChI=1S/C23H26N4O2/c28-22(21-14-19-15-24-12-10-20(19)26-21)25-11-4-6-17-7-5-13-27(16-17)23(29)18-8-2-1-3-9-18/h1-3,8-10,12,14-15,17,26H,4-7,11,13,16H2,(H,25,28)
InChIKeyBSAROBASCXLVHO-UHFFFAOYSA-N
XLogP3.63
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(1H-pyrrolo[3,2-c]pyridine-2-carbonylamino)butyl]piperidine-1-carboxylic acid
CID 90374114
6-(1-benzoylpiperidin-4-yl)-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)hexan-1-one
CID 146900863
N-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 70984090
N-(4-piperazin-1-ylbutyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 71010276
N-[2-[(3R)-1-(5-hydroxy-1H-indole-2-carbonyl)piperidin-3-yl]ethyl]-1H-pyrazole-4-carboxamide
CID 167931100
[(3S)-3-(2-phenylethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 26392215
N-[[1-(2-methoxypyridine-3-carbonyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 72870229
1H-indol-2-yl-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 99993764
N-[[(3S)-1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 26399006
N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 157399723
4-[3-(benzamidomethyl)piperidine-1-carbonyl]benzoic acid
CID 119183635
N-[[1-[2-(dimethylamino)acetyl]pyrrolidin-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 167876966

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-benzoylpiperidin-3-yl)propyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-[3-(1-benzoylpiperidin-3-yl)propyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 126510184) is N-[3-(1-benzoylpiperidin-3-yl)propyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(1-benzoylpiperidin-3-yl)propyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-[3-(1-benzoylpiperidin-3-yl)propyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is O=C(NCCCC1CCCN(C(=O)c2ccccc2)C1)c1cc2cnccc2[nH]1.
What is the InChIKey of N-[3-(1-benzoylpiperidin-3-yl)propyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is BSAROBASCXLVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c28-22(21-14-19-15-24-12-10-20(19)26-21)25-11-4-6-17-7-5-13-27(16-17)23(29)18-8-2-1-3-9-18/h1-3,8-10,12,14-15,17,26H,4-7,11,13,16H2,(H,25,28).
What are the key properties of N-[3-(1-benzoylpiperidin-3-yl)propyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
N-[3-(1-benzoylpiperidin-3-yl)propyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-benzoylpiperidin-3-yl)propyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 126510184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).