1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-butylpiperidine-4-carboxamide;hydrochloride

C19H34ClN3O2 — CID 119289702

IUPAC1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-butylpiperidine-4-carboxamide;hydrochloride
SMILESCCCCNC(=O)C1CCN(C(=O)C2CC3CCCCC3N2)CC1.Cl
InChIInChI=1S/C19H33N3O2.ClH/c1-2-3-10-20-18(23)14-8-11-22(12-9-14)19(24)17-13-15-6-4-5-7-16(15)21-17;/h14-17,21H,2-13H2,1H3,(H,20,23);1H
InChIKeyUEXBFZJOOUHTPF-UHFFFAOYSA-N
MW371.95 g/mol
LogP2.48
Rot. Bonds5

About 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-butylpiperidine-4-carboxamide;hydrochloride

1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-butylpiperidine-4-carboxamide;hydrochloride (PubChem CID 119289702) has the molecular formula C19H34ClN3O2 and a molecular weight of 371.95 g/mol. Its IUPAC name is 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-butylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-butylpiperidine-4-carboxamide;hydrochloride
PubChem CID119289702
Molecular FormulaC19H34ClN3O2
Molecular Weight371.95 g/mol
Exact Mass371.23
IUPAC Name1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-butylpiperidine-4-carboxamide;hydrochloride
SMILESCCCCNC(=O)C1CCN(C(=O)C2CC3CCCCC3N2)CC1.Cl
InChIInChI=1S/C19H33N3O2.ClH/c1-2-3-10-20-18(23)14-8-11-22(12-9-14)19(24)17-13-15-6-4-5-7-16(15)21-17;/h14-17,21H,2-13H2,1H3,(H,20,23);1H
InChIKeyUEXBFZJOOUHTPF-UHFFFAOYSA-N
XLogP2.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.95
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-butylpiperidine-4-carboxamide;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

N-butyl-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide
CID 61163792
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(piperidin-1-yl)methanone
CID 24693158
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 119289725
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(3-ethylpyrrolidin-1-yl)methanone;hydrochloride
CID 119345006
[(2R,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]methanone
CID 99849500
1-(cyclobutanecarbonyl)-N-pentylpiperidine-4-carboxamide
CID 113005621
N-(3-methoxypropyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119262546
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(4,4-diethylpiperidin-1-yl)methanone
CID 63163516
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-[3-(diethylamino)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119843254
2-[1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperidin-4-yl]-N-methylacetamide
CID 119331793
N-(4-ethoxybutyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119288793
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride
CID 119312935

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-butylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-butylpiperidine-4-carboxamide;hydrochloride (CID 119289702) is 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-butylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-butylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-butylpiperidine-4-carboxamide;hydrochloride is CCCCNC(=O)C1CCN(C(=O)C2CC3CCCCC3N2)CC1.Cl.
What is the InChIKey of 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-butylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is UEXBFZJOOUHTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2.ClH/c1-2-3-10-20-18(23)14-8-11-22(12-9-14)19(24)17-13-15-6-4-5-7-16(15)21-17;/h14-17,21H,2-13H2,1H3,(H,20,23);1H.
What are the key properties of 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-butylpiperidine-4-carboxamide;hydrochloride?
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-butylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 371.95 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-butylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119289702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).