N-[(1-benzylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide;dihydrochloride

C18H29Cl2N3O — CID 119888642

IUPACN-[(1-benzylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1CCCN1Cc1ccccc1)C1CCCNC1
InChIInChI=1S/C18H27N3O.2ClH/c22-18(16-8-4-10-19-12-16)20-13-17-9-5-11-21(17)14-15-6-2-1-3-7-15;;/h1-3,6-7,16-17,19H,4-5,8-14H2,(H,20,22);2*1H
InChIKeyPAWQWZFYWYJVSD-UHFFFAOYSA-N
MW374.36 g/mol
LogP2.61
Rot. Bonds5

About N-[(1-benzylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide;dihydrochloride

N-[(1-benzylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide;dihydrochloride (PubChem CID 119888642) has the molecular formula C18H29Cl2N3O and a molecular weight of 374.36 g/mol. Its IUPAC name is N-[(1-benzylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(1-benzylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide;dihydrochloride
PubChem CID119888642
Molecular FormulaC18H29Cl2N3O
Molecular Weight374.36 g/mol
Exact Mass373.17
IUPAC NameN-[(1-benzylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1CCCN1Cc1ccccc1)C1CCCNC1
InChIInChI=1S/C18H27N3O.2ClH/c22-18(16-8-4-10-19-12-16)20-13-17-9-5-11-21(17)14-15-6-2-1-3-7-15;;/h1-3,6-7,16-17,19H,4-5,8-14H2,(H,20,22);2*1H
InChIKeyPAWQWZFYWYJVSD-UHFFFAOYSA-N
XLogP2.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

N-[(1-benzylpiperidin-2-yl)methyl]piperidine-3-carboxamide
CID 119861716
N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119828999
N-[(1-benzylpyrrolidin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119888680
N-[(1-benzylpyrrolidin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119888681
(3S)-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 98786828
N-(1-benzylpiperidin-3-yl)piperidine-3-carboxamide
CID 119855944
N-[(1-benzylpyrrolidin-2-yl)methyl]-1-propanoylpyrrolidine-3-carboxamide
CID 136516685
1-benzyl-N-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119514658
N-[(1-benzylpyrrolidin-2-yl)methyl]-1-hydroxycyclopentane-1-carboxamide
CID 111336713
N-[(1-benzylpiperidin-2-yl)methyl]morpholine-3-carboxamide
CID 119861728
N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119847231
1-benzyl-N-piperidin-3-ylpiperidine-2-carboxamide;dihydrochloride
CID 119427951

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[(1-benzylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide;dihydrochloride (CID 119888642) is N-[(1-benzylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(1-benzylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[(1-benzylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(NCC1CCCN1Cc1ccccc1)C1CCCNC1.
What is the InChIKey of N-[(1-benzylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide;dihydrochloride?
The InChIKey is PAWQWZFYWYJVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O.2ClH/c22-18(16-8-4-10-19-12-16)20-13-17-9-5-11-21(17)14-15-6-2-1-3-7-15;;/h1-3,6-7,16-17,19H,4-5,8-14H2,(H,20,22);2*1H.
What are the key properties of N-[(1-benzylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide;dihydrochloride?
N-[(1-benzylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide;dihydrochloride has a molecular weight of 374.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119888642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).