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

C18H27Cl2F2N3O — CID 119883979

IUPAC(2R)-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]piperidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCCN(Cc2c(F)cccc2F)C1)[C@H]1CCCCN1
InChIInChI=1S/C18H25F2N3O.2ClH/c19-15-6-3-7-16(20)14(15)12-23-10-4-5-13(11-23)22-18(24)17-8-1-2-9-21-17;;/h3,6-7,13,17,21H,1-2,4-5,8-12H2,(H,22,24);2*1H/t13?,17-;;/m1../s1
InChIKeySBVUGBPUIPZWJT-YRXUTTOUSA-N
MW410.34 g/mol
LogP3.03
Rot. Bonds4

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

(2R)-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]piperidine-2-carboxamide;dihydrochloride (PubChem CID 119883979) has the molecular formula C18H27Cl2F2N3O and a molecular weight of 410.34 g/mol. Its IUPAC name is (2R)-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]piperidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]piperidine-2-carboxamide;dihydrochloride
PubChem CID119883979
Molecular FormulaC18H27Cl2F2N3O
Molecular Weight410.34 g/mol
Exact Mass409.15
IUPAC Name(2R)-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]piperidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCCN(Cc2c(F)cccc2F)C1)[C@H]1CCCCN1
InChIInChI=1S/C18H25F2N3O.2ClH/c19-15-6-3-7-16(20)14(15)12-23-10-4-5-13(11-23)22-18(24)17-8-1-2-9-21-17;;/h3,6-7,13,17,21H,1-2,4-5,8-12H2,(H,22,24);2*1H/t13?,17-;;/m1../s1
InChIKeySBVUGBPUIPZWJT-YRXUTTOUSA-N
XLogP3.03
TPSA44.37 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 ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

(2R)-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]piperidine-2-carboxamide;dihydrochloride
CID 119884047
2-amino-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119883983
N-(1-benzylpyrrolidin-3-yl)pyrrolidine-2-carboxamide
CID 43424739
N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119884021
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetamide
CID 119884012
(2S)-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-2-carboxamide;dihydrochloride
CID 119857927
[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]urea
CID 118272184
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]-2-imidazol-1-ylpropanamide
CID 56787135
N-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]ethanesulfonamide
CID 95331166
1-(azepan-2-yl)-2-(2,6-difluorophenyl)ethanone
CID 114935433

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]piperidine-2-carboxamide;dihydrochloride?
The IUPAC name of (2R)-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]piperidine-2-carboxamide;dihydrochloride (CID 119883979) is (2R)-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]piperidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2R)-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]piperidine-2-carboxamide;dihydrochloride?
The canonical SMILES for (2R)-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]piperidine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(NC1CCCN(Cc2c(F)cccc2F)C1)[C@H]1CCCCN1.
What is the InChIKey of (2R)-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]piperidine-2-carboxamide;dihydrochloride?
The InChIKey is SBVUGBPUIPZWJT-YRXUTTOUSA-N. The full InChI is InChI=1S/C18H25F2N3O.2ClH/c19-15-6-3-7-16(20)14(15)12-23-10-4-5-13(11-23)22-18(24)17-8-1-2-9-21-17;;/h3,6-7,13,17,21H,1-2,4-5,8-12H2,(H,22,24);2*1H/t13?,17-;;/m1../s1.
What are the key properties of (2R)-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]piperidine-2-carboxamide;dihydrochloride?
(2R)-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]piperidine-2-carboxamide;dihydrochloride has a molecular weight of 410.34 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]piperidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119883979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).