1-amino-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride

C18H27Cl3FN3O — CID 119884065

IUPAC1-amino-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)NC2CCCN(Cc3ccc(F)cc3Cl)C2)CCCC1
InChIInChI=1S/C18H25ClFN3O.2ClH/c19-16-10-14(20)6-5-13(16)11-23-9-3-4-15(12-23)22-17(24)18(21)7-1-2-8-18;;/h5-6,10,15H,1-4,7-9,11-12,21H2,(H,22,24);2*1H
InChIKeyYTXOMTBXCADFTC-UHFFFAOYSA-N
MW426.79 g/mol
LogP3.67
Rot. Bonds4

About 1-amino-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride

1-amino-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119884065) has the molecular formula C18H27Cl3FN3O and a molecular weight of 426.79 g/mol. Its IUPAC name is 1-amino-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119884065
Molecular FormulaC18H27Cl3FN3O
Molecular Weight426.79 g/mol
Exact Mass425.12
IUPAC Name1-amino-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)NC2CCCN(Cc3ccc(F)cc3Cl)C2)CCCC1
InChIInChI=1S/C18H25ClFN3O.2ClH/c19-16-10-14(20)6-5-13(16)11-23-9-3-4-15(12-23)22-17(24)18(21)7-1-2-8-18;;/h5-6,10,15H,1-4,7-9,11-12,21H2,(H,22,24);2*1H
InChIKeyYTXOMTBXCADFTC-UHFFFAOYSA-N
XLogP3.67
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.79
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride with MolForge

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Related Compounds

(2S)-2-amino-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]butanamide
CID 119884082
1-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-3-(2-hydroxyethyl)urea
CID 111116918
(2R)-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]piperidine-2-carboxamide;dihydrochloride
CID 119884047
1-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-3-[2-(2,2-difluorocyclopropyl)ethyl]urea
CID 146136430
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]acetamide;dihydrochloride
CID 119884077
(2S,5R)-5-(aminomethyl)-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]oxolane-2-carboxamide
CID 120800404
(1-aminocyclopentyl)-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119853344
5-acetamido-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-2-hydroxybenzamide
CID 86937585
6-chloro-4-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]pyrimidine-2,4,5-triamine
CID 154877268
N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119884069
N-(2-aminoethyl)-1-[(2-chloro-4-fluorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916869
6-[[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]amino]pyridine-2-carboxylic acid
CID 122053759

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride (CID 119884065) is 1-amino-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride is Cl.Cl.NC1(C(=O)NC2CCCN(Cc3ccc(F)cc3Cl)C2)CCCC1.
What is the InChIKey of 1-amino-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is YTXOMTBXCADFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClFN3O.2ClH/c19-16-10-14(20)6-5-13(16)11-23-9-3-4-15(12-23)22-17(24)18(21)7-1-2-8-18;;/h5-6,10,15H,1-4,7-9,11-12,21H2,(H,22,24);2*1H.
What are the key properties of 1-amino-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride?
1-amino-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 426.79 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119884065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).