3-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride

C18H27Cl4N3O — CID 119883485

IUPAC3-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCC(C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1
InChIInChI=1S/C18H25Cl2N3O.2ClH/c19-16-4-1-12(9-17(16)20)11-23-7-5-15(6-8-23)22-18(24)13-2-3-14(21)10-13;;/h1,4,9,13-15H,2-3,5-8,10-11,21H2,(H,22,24);2*1H
InChIKeySRDNLIQPXVBSQV-UHFFFAOYSA-N
MW443.25 g/mol
LogP4.05
Rot. Bonds4

About 3-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride

3-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119883485) has the molecular formula C18H27Cl4N3O and a molecular weight of 443.25 g/mol. Its IUPAC name is 3-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119883485
Molecular FormulaC18H27Cl4N3O
Molecular Weight443.25 g/mol
Exact Mass441.09
IUPAC Name3-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCC(C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1
InChIInChI=1S/C18H25Cl2N3O.2ClH/c19-16-4-1-12(9-17(16)20)11-23-7-5-15(6-8-23)22-18(24)13-2-3-14(21)10-13;;/h1,4,9,13-15H,2-3,5-8,10-11,21H2,(H,22,24);2*1H
InChIKeySRDNLIQPXVBSQV-UHFFFAOYSA-N
XLogP4.05
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.25
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride with MolForge

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Related Compounds

3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119848169
(2R)-2-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]propanamide;dihydrochloride
CID 119883495
1-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119883491
1-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide
CID 119883492
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-methoxyacetamide
CID 86993237
3-amino-N-(1-benzylpiperidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride
CID 119855968
(2S,4S)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631803
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 10134420
lithium;4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-4-oxobutanoic acid;hydride
CID 173119954
3-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]benzamide
CID 119883504
1-[(3,4-dichlorophenyl)methyl]-N-(oxan-4-yl)piperidine-3-carboxamide
CID 165431874
3-amino-N-(1-benzylpyrrolidin-3-yl)cyclohexane-1-carboxamide
CID 119831684

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride (CID 119883485) is 3-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride is Cl.Cl.NC1CCC(C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1.
What is the InChIKey of 3-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is SRDNLIQPXVBSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25Cl2N3O.2ClH/c19-16-4-1-12(9-17(16)20)11-23-7-5-15(6-8-23)22-18(24)13-2-3-14(21)10-13;;/h1,4,9,13-15H,2-3,5-8,10-11,21H2,(H,22,24);2*1H.
What are the key properties of 3-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride?
3-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 443.25 g/mol, XLogP of 4.05, 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-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119883485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).