3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride

C17H28Cl2N4O — CID 119848169

IUPAC3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCC(C(=O)NC2CCN(Cc3ccncc3)CC2)C1
InChIInChI=1S/C17H26N4O.2ClH/c18-15-2-1-14(11-15)17(22)20-16-5-9-21(10-6-16)12-13-3-7-19-8-4-13;;/h3-4,7-8,14-16H,1-2,5-6,9-12,18H2,(H,20,22);2*1H
InChIKeyDGKBYXBCONKSGR-UHFFFAOYSA-N
MW375.34 g/mol
LogP2.13
Rot. Bonds4

About 3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride

3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119848169) has the molecular formula C17H28Cl2N4O and a molecular weight of 375.34 g/mol. Its IUPAC name is 3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119848169
Molecular FormulaC17H28Cl2N4O
Molecular Weight375.34 g/mol
Exact Mass374.16
IUPAC Name3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCC(C(=O)NC2CCN(Cc3ccncc3)CC2)C1
InChIInChI=1S/C17H26N4O.2ClH/c18-15-2-1-14(11-15)17(22)20-16-5-9-21(10-6-16)12-13-3-7-19-8-4-13;;/h3-4,7-8,14-16H,1-2,5-6,9-12,18H2,(H,20,22);2*1H
InChIKeyDGKBYXBCONKSGR-UHFFFAOYSA-N
XLogP2.13
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.34
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119883485
3-amino-N-(1-benzylpiperidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride
CID 119855968
N-cyclopropyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45172510
3-amino-N-(1-benzylpyrrolidin-3-yl)cyclohexane-1-carboxamide
CID 119831684
3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119848202
1-N-phenyl-4-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1,4-dicarboxamide
CID 138041926
3-amino-N-[1-(2-methylpropyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 119841081
(3R)-N-(1-methylpiperidin-4-yl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95557331
N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72879272
2-methyl-3-(methylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide;dihydrochloride
CID 119848192
3-amino-N-(1-prop-2-enylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 119879095
3-amino-N-[4-(azepan-1-ylmethyl)phenyl]cyclopentane-1-carboxamide
CID 119867921

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride (CID 119848169) is 3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride is Cl.Cl.NC1CCC(C(=O)NC2CCN(Cc3ccncc3)CC2)C1.
What is the InChIKey of 3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is DGKBYXBCONKSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O.2ClH/c18-15-2-1-14(11-15)17(22)20-16-5-9-21(10-6-16)12-13-3-7-19-8-4-13;;/h3-4,7-8,14-16H,1-2,5-6,9-12,18H2,(H,20,22);2*1H.
What are the key properties of 3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride?
3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 375.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119848169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).