2-amino-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride

C18H27Cl2F2N3O — CID 119883983

IUPAC2-amino-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCCC1C(=O)NC1CCCN(Cc2c(F)cccc2F)C1
InChIInChI=1S/C18H25F2N3O.2ClH/c19-15-6-2-7-16(20)14(15)11-23-9-3-4-12(10-23)22-18(24)13-5-1-8-17(13)21;;/h2,6-7,12-13,17H,1,3-5,8-11,21H2,(H,22,24);2*1H
InChIKeyPWIRSGHFDYFLDO-UHFFFAOYSA-N
MW410.34 g/mol
LogP3.02
Rot. Bonds4

About 2-amino-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride

2-amino-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119883983) has the molecular formula C18H27Cl2F2N3O and a molecular weight of 410.34 g/mol. Its IUPAC name is 2-amino-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119883983
Molecular FormulaC18H27Cl2F2N3O
Molecular Weight410.34 g/mol
Exact Mass409.15
IUPAC Name2-amino-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCCC1C(=O)NC1CCCN(Cc2c(F)cccc2F)C1
InChIInChI=1S/C18H25F2N3O.2ClH/c19-15-6-2-7-16(20)14(15)11-23-9-3-4-12(10-23)22-18(24)13-5-1-8-17(13)21;;/h2,6-7,12-13,17H,1,3-5,8-11,21H2,(H,22,24);2*1H
InChIKeyPWIRSGHFDYFLDO-UHFFFAOYSA-N
XLogP3.02
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.34
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride with MolForge

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Related Compounds

(2R)-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]piperidine-2-carboxamide;dihydrochloride
CID 119883979
[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]urea
CID 118272184
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetamide
CID 119884012
N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-methylimidazole-4-carboxamide
CID 122138262
1-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-[(2S)-1-hydroxybutan-2-yl]urea
CID 86817506
N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119884021
N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-2-imidazol-1-ylpropanamide
CID 56787135
N-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]ethanesulfonamide
CID 95331166
(3R)-1-[(2,6-difluorophenyl)methyl]-3-(dimethylsulfamoylamino)piperidine
CID 95322592
(3R)-N-cyclopropyl-1-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 95188167
(3R)-3-[[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]amino]-N,N-dimethylbutanamide
CID 97231897
2-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetic acid
CID 65060111

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 2-amino-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride (CID 119883983) is 2-amino-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride is Cl.Cl.NC1CCCC1C(=O)NC1CCCN(Cc2c(F)cccc2F)C1.
What is the InChIKey of 2-amino-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is PWIRSGHFDYFLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2N3O.2ClH/c19-15-6-2-7-16(20)14(15)11-23-9-3-4-12(10-23)22-18(24)13-5-1-8-17(13)21;;/h2,6-7,12-13,17H,1,3-5,8-11,21H2,(H,22,24);2*1H.
What are the key properties of 2-amino-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride?
2-amino-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 410.34 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119883983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).