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

C18H27Cl3FN3O — CID 119884047

IUPAC(2R)-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]piperidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCCN(Cc2ccc(F)cc2Cl)C1)[C@H]1CCCCN1
InChIInChI=1S/C18H25ClFN3O.2ClH/c19-16-10-14(20)7-6-13(16)11-23-9-3-4-15(12-23)22-18(24)17-5-1-2-8-21-17;;/h6-7,10,15,17,21H,1-5,8-9,11-12H2,(H,22,24);2*1H/t15?,17-;;/m1../s1
InChIKeyQMSFCORCYXLUMP-ACDXBUJOSA-N
MW426.79 g/mol
LogP3.55
Rot. Bonds4

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

(2R)-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]piperidine-2-carboxamide;dihydrochloride (PubChem CID 119884047) has the molecular formula C18H27Cl3FN3O and a molecular weight of 426.79 g/mol. Its IUPAC name is (2R)-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]piperidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]piperidine-2-carboxamide;dihydrochloride
PubChem CID119884047
Molecular FormulaC18H27Cl3FN3O
Molecular Weight426.79 g/mol
Exact Mass425.12
IUPAC Name(2R)-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]piperidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCCN(Cc2ccc(F)cc2Cl)C1)[C@H]1CCCCN1
InChIInChI=1S/C18H25ClFN3O.2ClH/c19-16-10-14(20)7-6-13(16)11-23-9-3-4-15(12-23)22-18(24)17-5-1-2-8-21-17;;/h6-7,10,15,17,21H,1-5,8-9,11-12H2,(H,22,24);2*1H/t15?,17-;;/m1../s1
InChIKeyQMSFCORCYXLUMP-ACDXBUJOSA-N
XLogP3.55
TPSA44.37 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 ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]piperidine-2-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
1-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-3-(2-hydroxyethyl)urea
CID 111116918
1-amino-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119884065
(2S)-2-amino-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]butanamide
CID 119884082
(2S,5R)-5-(aminomethyl)-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]oxolane-2-carboxamide
CID 120800404
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]acetamide;dihydrochloride
CID 119884077
N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119884069
1-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-3-[2-(2,2-difluorocyclopropyl)ethyl]urea
CID 146136430
5-acetamido-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-2-hydroxybenzamide
CID 86937585
N-(2-aminoethyl)-1-[(2-chloro-4-fluorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916869
N-(1-benzylpyrrolidin-3-yl)pyrrolidine-2-carboxamide
CID 43424739
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 (2R)-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]piperidine-2-carboxamide;dihydrochloride?
The IUPAC name of (2R)-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]piperidine-2-carboxamide;dihydrochloride (CID 119884047) is (2R)-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]piperidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2R)-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]piperidine-2-carboxamide;dihydrochloride?
The canonical SMILES for (2R)-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]piperidine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(NC1CCCN(Cc2ccc(F)cc2Cl)C1)[C@H]1CCCCN1.
What is the InChIKey of (2R)-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]piperidine-2-carboxamide;dihydrochloride?
The InChIKey is QMSFCORCYXLUMP-ACDXBUJOSA-N. The full InChI is InChI=1S/C18H25ClFN3O.2ClH/c19-16-10-14(20)7-6-13(16)11-23-9-3-4-15(12-23)22-18(24)17-5-1-2-8-21-17;;/h6-7,10,15,17,21H,1-5,8-9,11-12H2,(H,22,24);2*1H/t15?,17-;;/m1../s1.
What are the key properties of (2R)-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]piperidine-2-carboxamide;dihydrochloride?
(2R)-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]piperidine-2-carboxamide;dihydrochloride has a molecular weight of 426.79 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]piperidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119884047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).