1-benzyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;dihydrochloride

C18H29Cl2N3O — CID 119538060

IUPAC1-benzyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCC1CCNC1)C1CCCN1Cc1ccccc1
InChIInChI=1S/C18H27N3O.2ClH/c22-18(20-11-9-15-8-10-19-13-15)17-7-4-12-21(17)14-16-5-2-1-3-6-16;;/h1-3,5-6,15,17,19H,4,7-14H2,(H,20,22);2*1H
InChIKeyQZEANMUBAJXJGU-UHFFFAOYSA-N
MW374.36 g/mol
LogP2.61
Rot. Bonds6

About 1-benzyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;dihydrochloride

1-benzyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 119538060) has the molecular formula C18H29Cl2N3O and a molecular weight of 374.36 g/mol. Its IUPAC name is 1-benzyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-benzyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;dihydrochloride
PubChem CID119538060
Molecular FormulaC18H29Cl2N3O
Molecular Weight374.36 g/mol
Exact Mass373.17
IUPAC Name1-benzyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCC1CCNC1)C1CCCN1Cc1ccccc1
InChIInChI=1S/C18H27N3O.2ClH/c22-18(20-11-9-15-8-10-19-13-15)17-7-4-12-21(17)14-16-5-2-1-3-6-16;;/h1-3,5-6,15,17,19H,4,7-14H2,(H,20,22);2*1H
InChIKeyQZEANMUBAJXJGU-UHFFFAOYSA-N
XLogP2.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;dihydrochloride
CID 119558347
1-(2-phenylacetyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119557113
1-benzyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide
CID 119453078
1-(benzenesulfonyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-2-carboxamide;hydrochloride
CID 119533650
1-benzyl-N-piperidin-3-ylpiperidine-2-carboxamide;dihydrochloride
CID 119427951
(2S)-1-benzyl-N-butylpyrrolidine-2-carboxamide
CID 131848769
1-benzyl-N-(3-piperazin-1-ylpropyl)piperidine-2-carboxamide;dihydrochloride
CID 119393584
1-benzyl-N-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119514658
1-(benzenesulfonyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119559231
1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide
CID 120947149
1-benzyl-N-[3-(methylamino)propyl]piperidine-2-carboxamide;dihydrochloride
CID 119433038
1-benzyl-N-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 51098589

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of 1-benzyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;dihydrochloride (CID 119538060) is 1-benzyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for 1-benzyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for 1-benzyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(NCCC1CCNC1)C1CCCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is QZEANMUBAJXJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O.2ClH/c22-18(20-11-9-15-8-10-19-13-15)17-7-4-12-21(17)14-16-5-2-1-3-6-16;;/h1-3,5-6,15,17,19H,4,7-14H2,(H,20,22);2*1H.
What are the key properties of 1-benzyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;dihydrochloride?
1-benzyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 374.36 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119538060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).