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

C17H27Cl2N3O — CID 119514658

IUPAC1-benzyl-N-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1CCCN1)C1CCCN1Cc1ccccc1
InChIInChI=1S/C17H25N3O.2ClH/c21-17(19-12-15-8-4-10-18-15)16-9-5-11-20(16)13-14-6-2-1-3-7-14;;/h1-3,6-7,15-16,18H,4-5,8-13H2,(H,19,21);2*1H
InChIKeyBKTKMTKFCUMRBE-UHFFFAOYSA-N
MW360.33 g/mol
LogP2.36
Rot. Bonds5

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

1-benzyl-N-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 119514658) has the molecular formula C17H27Cl2N3O and a molecular weight of 360.33 g/mol. Its IUPAC name is 1-benzyl-N-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-benzyl-N-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride
PubChem CID119514658
Molecular FormulaC17H27Cl2N3O
Molecular Weight360.33 g/mol
Exact Mass359.15
IUPAC Name1-benzyl-N-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1CCCN1)C1CCCN1Cc1ccccc1
InChIInChI=1S/C17H25N3O.2ClH/c21-17(19-12-15-8-4-10-18-15)16-9-5-11-20(16)13-14-6-2-1-3-7-14;;/h1-3,6-7,15-16,18H,4-5,8-13H2,(H,19,21);2*1H
InChIKeyBKTKMTKFCUMRBE-UHFFFAOYSA-N
XLogP2.36
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide
CID 120947149
1-benzyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119538060
4-[[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 124703936
(2S)-1-benzyl-N-butylpyrrolidine-2-carboxamide
CID 131848769
1-benzyl-N-[2-(methylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 120829939
N-[(1-benzylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119888642
1-benzyl-N-(2-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride
CID 120599716
1-benzyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;dihydrochloride
CID 119558347
1-benzyl-N-piperidin-3-ylpiperidine-2-carboxamide;dihydrochloride
CID 119427951
(2S)-2-benzyl-3-[[(2S)-1-benzylpyrrolidine-2-carbonyl]amino]propanoic acid
CID 125136876
(2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
CID 141477985
1-benzyl-N-(3-piperazin-1-ylpropyl)piperidine-2-carboxamide;dihydrochloride
CID 119393584

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of 1-benzyl-N-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride (CID 119514658) is 1-benzyl-N-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for 1-benzyl-N-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for 1-benzyl-N-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(NCC1CCCN1)C1CCCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is BKTKMTKFCUMRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O.2ClH/c21-17(19-12-15-8-4-10-18-15)16-9-5-11-20(16)13-14-6-2-1-3-7-14;;/h1-3,6-7,15-16,18H,4-5,8-13H2,(H,19,21);2*1H.
What are the key properties of 1-benzyl-N-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride?
1-benzyl-N-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 360.33 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119514658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).