6-(1-benzoylpiperidin-4-yl)-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)hexan-1-one

C25H29N3O2 — CID 146900863

IUPAC6-(1-benzoylpiperidin-4-yl)-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)hexan-1-one
SMILESO=C(CCCCCC1CCN(C(=O)c2ccccc2)CC1)c1cc2cnccc2[nH]1
InChIInChI=1S/C25H29N3O2/c29-24(23-17-21-18-26-14-11-22(21)27-23)10-6-1-3-7-19-12-15-28(16-13-19)25(30)20-8-4-2-5-9-20/h2,4-5,8-9,11,14,17-19,27H,1,3,6-7,10,12-13,15-16H2
InChIKeyPJZADLTXSQJWCT-UHFFFAOYSA-N
MW403.53 g/mol
LogP5.25
Rot. Bonds8

About 6-(1-benzoylpiperidin-4-yl)-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)hexan-1-one

6-(1-benzoylpiperidin-4-yl)-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)hexan-1-one (PubChem CID 146900863) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 6-(1-benzoylpiperidin-4-yl)-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)hexan-1-one.

Molecular Properties

Compound Name6-(1-benzoylpiperidin-4-yl)-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)hexan-1-one
PubChem CID146900863
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name6-(1-benzoylpiperidin-4-yl)-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)hexan-1-one
SMILESO=C(CCCCCC1CCN(C(=O)c2ccccc2)CC1)c1cc2cnccc2[nH]1
InChIInChI=1S/C25H29N3O2/c29-24(23-17-21-18-26-14-11-22(21)27-23)10-6-1-3-7-19-12-15-28(16-13-19)25(30)20-8-4-2-5-9-20/h2,4-5,8-9,11,14,17-19,27H,1,3,6-7,10,12-13,15-16H2
InChIKeyPJZADLTXSQJWCT-UHFFFAOYSA-N
XLogP5.25
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)hexan-1-one
CID 162300879
6-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)hexan-1-one
CID 162300880
N-[3-(1-benzoylpiperidin-3-yl)propyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 126510184
4-[4-(1H-pyrrolo[3,2-c]pyridine-2-carbonylamino)butyl]piperidine-1-carboxylic acid
CID 90374114
N-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 70984090
6-[1-(pyridine-3-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one
CID 148501492
6-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one
CID 158197684
phenyl-[4-(3-phenylpropyl)piperidin-1-yl]methanone
CID 168948503
1H-indol-2-yl-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53037973
N-[6-(1-benzoylpiperidin-4-yl)hexyl]-3-pyridin-3-ylprop-2-enamide
CID 68649734
N-[4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 70983957
[4-[2-(azetidin-3-yl)ethyl]piperidin-1-yl]-phenylmethanone
CID 90953914

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzoylpiperidin-4-yl)-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)hexan-1-one?
The IUPAC name of 6-(1-benzoylpiperidin-4-yl)-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)hexan-1-one (CID 146900863) is 6-(1-benzoylpiperidin-4-yl)-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)hexan-1-one.
What is the SMILES notation for 6-(1-benzoylpiperidin-4-yl)-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)hexan-1-one?
The canonical SMILES for 6-(1-benzoylpiperidin-4-yl)-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)hexan-1-one is O=C(CCCCCC1CCN(C(=O)c2ccccc2)CC1)c1cc2cnccc2[nH]1.
What is the InChIKey of 6-(1-benzoylpiperidin-4-yl)-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)hexan-1-one?
The InChIKey is PJZADLTXSQJWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c29-24(23-17-21-18-26-14-11-22(21)27-23)10-6-1-3-7-19-12-15-28(16-13-19)25(30)20-8-4-2-5-9-20/h2,4-5,8-9,11,14,17-19,27H,1,3,6-7,10,12-13,15-16H2.
What are the key properties of 6-(1-benzoylpiperidin-4-yl)-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)hexan-1-one?
6-(1-benzoylpiperidin-4-yl)-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)hexan-1-one has a molecular weight of 403.53 g/mol, XLogP of 5.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzoylpiperidin-4-yl)-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)hexan-1-one is sourced from PubChem (CID 146900863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).