1-(pyrrolidine-1-carbonyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride

C17H31ClN4O2 — CID 119537419

IUPAC1-(pyrrolidine-1-carbonyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCNC1)C1CCCN(C(=O)N2CCCC2)C1
InChIInChI=1S/C17H30N4O2.ClH/c22-16(19-8-6-14-5-7-18-12-14)15-4-3-11-21(13-15)17(23)20-9-1-2-10-20;/h14-15,18H,1-13H2,(H,19,22);1H
InChIKeyRVSKERNUFGHOQZ-UHFFFAOYSA-N
MW358.91 g/mol
LogP1.45
Rot. Bonds4

About 1-(pyrrolidine-1-carbonyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride

1-(pyrrolidine-1-carbonyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119537419) has the molecular formula C17H31ClN4O2 and a molecular weight of 358.91 g/mol. Its IUPAC name is 1-(pyrrolidine-1-carbonyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(pyrrolidine-1-carbonyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119537419
Molecular FormulaC17H31ClN4O2
Molecular Weight358.91 g/mol
Exact Mass358.21
IUPAC Name1-(pyrrolidine-1-carbonyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCNC1)C1CCCN(C(=O)N2CCCC2)C1
InChIInChI=1S/C17H30N4O2.ClH/c22-16(19-8-6-14-5-7-18-12-14)15-4-3-11-21(13-15)17(23)20-9-1-2-10-20;/h14-15,18H,1-13H2,(H,19,22);1H
InChIKeyRVSKERNUFGHOQZ-UHFFFAOYSA-N
XLogP1.45
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.91
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-pyrrolidin-3-ylethyl)cycloheptanecarboxamide;hydrochloride
CID 119537193
1-acetyl-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide
CID 119555744
N-(2-pyrrolidin-3-ylethyl)piperidine-1-carboxamide
CID 79156274
1-(2-phenoxyacetyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide
CID 119533899
1-(3,5-dimethylbenzoyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide
CID 119555717
N-(2-piperidin-3-ylethyl)cyclobutanecarboxamide;hydrochloride
CID 119557894
N-(2-piperidin-3-ylethyl)cyclobutanecarboxamide
CID 60894096
N-(2-piperidin-4-ylethyl)cycloheptanecarboxamide
CID 62587221
1-(3-phenoxypropanoyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride
CID 119558659
1-N-(2-fluorophenyl)-3-N-(2-piperidin-3-ylethyl)piperidine-1,3-dicarboxamide
CID 119556343
1-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide
CID 119535630
N-[2-(1-methylpiperidin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 115159602

Frequently Asked Questions

What is the IUPAC name of 1-(pyrrolidine-1-carbonyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(pyrrolidine-1-carbonyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride (CID 119537419) is 1-(pyrrolidine-1-carbonyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(pyrrolidine-1-carbonyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(pyrrolidine-1-carbonyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride is Cl.O=C(NCCC1CCNC1)C1CCCN(C(=O)N2CCCC2)C1.
What is the InChIKey of 1-(pyrrolidine-1-carbonyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is RVSKERNUFGHOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2.ClH/c22-16(19-8-6-14-5-7-18-12-14)15-4-3-11-21(13-15)17(23)20-9-1-2-10-20;/h14-15,18H,1-13H2,(H,19,22);1H.
What are the key properties of 1-(pyrrolidine-1-carbonyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride?
1-(pyrrolidine-1-carbonyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 358.91 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrrolidine-1-carbonyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119537419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).