N-[3-(2,3-dihydroindol-1-yl)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride

C20H33Cl2N3O — CID 119851194

IUPACN-[3-(2,3-dihydroindol-1-yl)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)NCCCN1CCc2ccccc21)C1CCCNC1.Cl.Cl
InChIInChI=1S/C20H31N3O.2ClH/c1-16(18-7-4-10-21-15-18)14-20(24)22-11-5-12-23-13-9-17-6-2-3-8-19(17)23;;/h2-3,6,8,16,18,21H,4-5,7,9-15H2,1H3,(H,22,24);2*1H
InChIKeyCQJSOPFTVCXEIO-UHFFFAOYSA-N
MW402.41 g/mol
LogP3.42
Rot. Bonds7

About N-[3-(2,3-dihydroindol-1-yl)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride

N-[3-(2,3-dihydroindol-1-yl)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride (PubChem CID 119851194) has the molecular formula C20H33Cl2N3O and a molecular weight of 402.41 g/mol. Its IUPAC name is N-[3-(2,3-dihydroindol-1-yl)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-(2,3-dihydroindol-1-yl)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride
PubChem CID119851194
Molecular FormulaC20H33Cl2N3O
Molecular Weight402.41 g/mol
Exact Mass401.20
IUPAC NameN-[3-(2,3-dihydroindol-1-yl)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)NCCCN1CCc2ccccc21)C1CCCNC1.Cl.Cl
InChIInChI=1S/C20H31N3O.2ClH/c1-16(18-7-4-10-21-15-18)14-20(24)22-11-5-12-23-13-9-17-6-2-3-8-19(17)23;;/h2-3,6,8,16,18,21H,4-5,7,9-15H2,1H3,(H,22,24);2*1H
InChIKeyCQJSOPFTVCXEIO-UHFFFAOYSA-N
XLogP3.42
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 53.42
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

N-[3-(2,3-dihydroindol-1-yl)propyl]-3-piperidin-3-ylbutanamide
CID 119851195
N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671581
(3R)-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide
CID 81133525
N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]-3-piperidin-3-ylbutanamide
CID 119800553
3-piperidin-3-yl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride
CID 119835530
N-(3,3-diphenylpropyl)-3-piperidin-3-ylbutanamide
CID 119675917
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119741122
N-butyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671850
N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]-3-piperidin-3-ylbutanamide
CID 119779510
N-[3-(2,3-dihydroindol-1-yl)propyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126454273
N-[3-(2-phenylethoxy)propyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119739682
N-[2-(2-methylphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119688188

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride (CID 119851194) is N-[3-(2,3-dihydroindol-1-yl)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-[3-(2,3-dihydroindol-1-yl)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The canonical SMILES for N-[3-(2,3-dihydroindol-1-yl)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride is CC(CC(=O)NCCCN1CCc2ccccc21)C1CCCNC1.Cl.Cl.
What is the InChIKey of N-[3-(2,3-dihydroindol-1-yl)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The InChIKey is CQJSOPFTVCXEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O.2ClH/c1-16(18-7-4-10-21-15-18)14-20(24)22-11-5-12-23-13-9-17-6-2-3-8-19(17)23;;/h2-3,6,8,16,18,21H,4-5,7,9-15H2,1H3,(H,22,24);2*1H.
What are the key properties of N-[3-(2,3-dihydroindol-1-yl)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
N-[3-(2,3-dihydroindol-1-yl)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride has a molecular weight of 402.41 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydroindol-1-yl)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119851194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).