N,N-dimethyl-1-[(1S,2R)-2-methylcyclopropanecarbonyl]-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide

C25H31N3O2 — CID 124994587

IUPACN,N-dimethyl-1-[(1S,2R)-2-methylcyclopropanecarbonyl]-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
SMILESC[C@@H]1C[C@@H]1C(=O)N1CCC(Cc2ccccc2-c2cccnc2)(C(=O)N(C)C)CC1
InChIInChI=1S/C25H31N3O2/c1-18-15-22(18)23(29)28-13-10-25(11-14-28,24(30)27(2)3)16-19-7-4-5-9-21(19)20-8-6-12-26-17-20/h4-9,12,17-18,22H,10-11,13-16H2,1-3H3/t18-,22+/m1/s1
InChIKeyQFSYWXAFDDVGGQ-GCJKJVERSA-N
MW405.54 g/mol
LogP3.64
Rot. Bonds5

About N,N-dimethyl-1-[(1S,2R)-2-methylcyclopropanecarbonyl]-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide

N,N-dimethyl-1-[(1S,2R)-2-methylcyclopropanecarbonyl]-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 124994587) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is N,N-dimethyl-1-[(1S,2R)-2-methylcyclopropanecarbonyl]-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[(1S,2R)-2-methylcyclopropanecarbonyl]-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
PubChem CID124994587
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC NameN,N-dimethyl-1-[(1S,2R)-2-methylcyclopropanecarbonyl]-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
SMILESC[C@@H]1C[C@@H]1C(=O)N1CCC(Cc2ccccc2-c2cccnc2)(C(=O)N(C)C)CC1
InChIInChI=1S/C25H31N3O2/c1-18-15-22(18)23(29)28-13-10-25(11-14-28,24(30)27(2)3)16-19-7-4-5-9-21(19)20-8-6-12-26-17-20/h4-9,12,17-18,22H,10-11,13-16H2,1-3H3/t18-,22+/m1/s1
InChIKeyQFSYWXAFDDVGGQ-GCJKJVERSA-N
XLogP3.64
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-1-[(1S,2R)-2-methylcyclopropanecarbonyl]-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N,N-dimethyl-1-(2-methylcyclopropanecarbonyl)-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
CID 110247292
(3S)-N,N-dimethyl-1-(3-methylbutanoyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92578856
1-(cyclobutanecarbonyl)-N,N-dimethyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231805
(3S)-N-ethyl-1-[(1R,2R)-2-methylcyclopropanecarbonyl]-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 124910036
N,N-dimethyl-1-(2-methylcyclopropanecarbonyl)-4-[[3-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
CID 110247310
N,N-dimethyl-4-[(2-pyridin-4-ylphenyl)methyl]-1-(spiro[2.3]hexane-2-carbonyl)piperidine-4-carboxamide
CID 110083446
(3S)-1-(3,3-dimethylbutanoyl)-N,N-dimethyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92552155
1-(cyclopropanecarbonyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805550
N,N-dimethyl-1-(2-methylpropanoyl)-4-[(2-phenylphenyl)methyl]piperidine-4-carboxamide
CID 110083632
1-(2-methylcyclopropanecarbonyl)-N-prop-2-enyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231872
N,N-dimethyl-1-(2-methylcyclopropanecarbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232194
1-(cyclobutanecarbonyl)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110230861

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(1S,2R)-2-methylcyclopropanecarbonyl]-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N,N-dimethyl-1-[(1S,2R)-2-methylcyclopropanecarbonyl]-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide (CID 124994587) is N,N-dimethyl-1-[(1S,2R)-2-methylcyclopropanecarbonyl]-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[(1S,2R)-2-methylcyclopropanecarbonyl]-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[(1S,2R)-2-methylcyclopropanecarbonyl]-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide is C[C@@H]1C[C@@H]1C(=O)N1CCC(Cc2ccccc2-c2cccnc2)(C(=O)N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-1-[(1S,2R)-2-methylcyclopropanecarbonyl]-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is QFSYWXAFDDVGGQ-GCJKJVERSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-18-15-22(18)23(29)28-13-10-25(11-14-28,24(30)27(2)3)16-19-7-4-5-9-21(19)20-8-6-12-26-17-20/h4-9,12,17-18,22H,10-11,13-16H2,1-3H3/t18-,22+/m1/s1.
What are the key properties of N,N-dimethyl-1-[(1S,2R)-2-methylcyclopropanecarbonyl]-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide?
N,N-dimethyl-1-[(1S,2R)-2-methylcyclopropanecarbonyl]-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 405.54 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(1S,2R)-2-methylcyclopropanecarbonyl]-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 124994587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).