3-amino-N-(1-benzylpiperidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride

C18H29Cl2N3O — CID 119855968

IUPAC3-amino-N-(1-benzylpiperidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCC(C(=O)NC2CCCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C18H27N3O.2ClH/c19-16-9-8-15(11-16)18(22)20-17-7-4-10-21(13-17)12-14-5-2-1-3-6-14;;/h1-3,5-6,15-17H,4,7-13,19H2,(H,20,22);2*1H
InChIKeyMNEOGCYRQMEFGQ-UHFFFAOYSA-N
MW374.36 g/mol
LogP2.74
Rot. Bonds4

About 3-amino-N-(1-benzylpiperidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride

3-amino-N-(1-benzylpiperidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119855968) has the molecular formula C18H29Cl2N3O and a molecular weight of 374.36 g/mol. Its IUPAC name is 3-amino-N-(1-benzylpiperidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-(1-benzylpiperidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119855968
Molecular FormulaC18H29Cl2N3O
Molecular Weight374.36 g/mol
Exact Mass373.17
IUPAC Name3-amino-N-(1-benzylpiperidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCC(C(=O)NC2CCCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C18H27N3O.2ClH/c19-16-9-8-15(11-16)18(22)20-17-7-4-10-21(13-17)12-14-5-2-1-3-6-14;;/h1-3,5-6,15-17H,4,7-13,19H2,(H,20,22);2*1H
InChIKeyMNEOGCYRQMEFGQ-UHFFFAOYSA-N
XLogP2.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119831684
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CID 119862380
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CID 119885996
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N-[(3S)-1-benzylpiperidin-3-yl]acetamide
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(3S)-N-[(3R)-1-benzylpiperidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95136177
1-(1-benzylpiperidin-3-yl)-2-methylguanidine;hydroiodide
CID 84583445
3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119848169
1-benzyl-N-piperidin-4-ylpiperidine-3-carboxamide;dihydrochloride
CID 119389750
N-(1-benzylpyrrolidin-3-yl)piperidine-4-carboxamide;dihydrochloride
CID 119831668
(2S)-2-amino-N-(1-benzylpiperidin-3-yl)butanamide
CID 79022762

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-benzylpiperidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-(1-benzylpiperidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride (CID 119855968) is 3-amino-N-(1-benzylpiperidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-(1-benzylpiperidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-(1-benzylpiperidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride is Cl.Cl.NC1CCC(C(=O)NC2CCCN(Cc3ccccc3)C2)C1.
What is the InChIKey of 3-amino-N-(1-benzylpiperidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is MNEOGCYRQMEFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O.2ClH/c19-16-9-8-15(11-16)18(22)20-17-7-4-10-21(13-17)12-14-5-2-1-3-6-14;;/h1-3,5-6,15-17H,4,7-13,19H2,(H,20,22);2*1H.
What are the key properties of 3-amino-N-(1-benzylpiperidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride?
3-amino-N-(1-benzylpiperidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 374.36 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-benzylpiperidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119855968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).