1-(1-benzoyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl)piperidine-4-carboxamide

C22H29N3O3 — CID 119109669

IUPAC1-(1-benzoyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C2CC3CCCCC3N2C(=O)c2ccccc2)CC1
InChIInChI=1S/C22H29N3O3/c23-20(26)15-10-12-24(13-11-15)22(28)19-14-17-8-4-5-9-18(17)25(19)21(27)16-6-2-1-3-7-16/h1-3,6-7,15,17-19H,4-5,8-14H2,(H2,23,26)
InChIKeyHJQWOFLDVOEWQB-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.18
Rot. Bonds3

About 1-(1-benzoyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl)piperidine-4-carboxamide

1-(1-benzoyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl)piperidine-4-carboxamide (PubChem CID 119109669) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 1-(1-benzoyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-benzoyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl)piperidine-4-carboxamide
PubChem CID119109669
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name1-(1-benzoyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C2CC3CCCCC3N2C(=O)c2ccccc2)CC1
InChIInChI=1S/C22H29N3O3/c23-20(26)15-10-12-24(13-11-15)22(28)19-14-17-8-4-5-9-18(17)25(19)21(27)16-6-2-1-3-7-16/h1-3,6-7,15,17-19H,4-5,8-14H2,(H2,23,26)
InChIKeyHJQWOFLDVOEWQB-UHFFFAOYSA-N
XLogP2.18
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-benzoyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl)piperidine-4-carboxamide with MolForge

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Related Compounds

1-(1-benzoyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 119354443
(1-benzoyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119544723
[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzoyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl)methanone;hydrochloride
CID 119485168
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1-benzoyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl)methanone
CID 120660054
methyl (2S,3aS,7aS)-1-benzoyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 11162004
[(1S,2S)-2-phenylcyclopropyl]-[2-(pyrrolidine-1-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]methanone
CID 67825568
3-[[(2S,3aS,7aR)-1-benzoyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]propanoic acid
CID 129466820
2-[(1-benzoyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl)amino]propanoic acid
CID 119225256
N-(3-aminopropyl)-1-benzoyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide;hydrochloride
CID 119406820
(2R,3aS,7aR)-1-(3-methylbenzoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
CID 95756993
1-benzoyl-N-(1-phenylethyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
CID 112805006
N-(6-amino-3-pyridinyl)-1-benzoyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide;hydrochloride
CID 119515719

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzoyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-benzoyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl)piperidine-4-carboxamide (CID 119109669) is 1-(1-benzoyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-benzoyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-benzoyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl)piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)C2CC3CCCCC3N2C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(1-benzoyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is HJQWOFLDVOEWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c23-20(26)15-10-12-24(13-11-15)22(28)19-14-17-8-4-5-9-18(17)25(19)21(27)16-6-2-1-3-7-16/h1-3,6-7,15,17-19H,4-5,8-14H2,(H2,23,26).
What are the key properties of 1-(1-benzoyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl)piperidine-4-carboxamide?
1-(1-benzoyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzoyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 119109669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).