N,N-dimethyl-4-[(2-pyridin-4-ylphenyl)methyl]-1-(spiro[2.3]hexane-2-carbonyl)piperidine-4-carboxamide

C27H33N3O2 — CID 110083446

IUPACN,N-dimethyl-4-[(2-pyridin-4-ylphenyl)methyl]-1-(spiro[2.3]hexane-2-carbonyl)piperidine-4-carboxamide
SMILESCN(C)C(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)C2CC23CCC3)CC1
InChIInChI=1S/C27H33N3O2/c1-29(2)25(32)27(18-21-6-3-4-7-22(21)20-8-14-28-15-9-20)12-16-30(17-13-27)24(31)23-19-26(23)10-5-11-26/h3-4,6-9,14-15,23H,5,10-13,16-19H2,1-2H3
InChIKeyCHVZPNPQUBIRRV-UHFFFAOYSA-N
MW431.58 g/mol
LogP4.18
Rot. Bonds5

About N,N-dimethyl-4-[(2-pyridin-4-ylphenyl)methyl]-1-(spiro[2.3]hexane-2-carbonyl)piperidine-4-carboxamide

N,N-dimethyl-4-[(2-pyridin-4-ylphenyl)methyl]-1-(spiro[2.3]hexane-2-carbonyl)piperidine-4-carboxamide (PubChem CID 110083446) has the molecular formula C27H33N3O2 and a molecular weight of 431.58 g/mol. Its IUPAC name is N,N-dimethyl-4-[(2-pyridin-4-ylphenyl)methyl]-1-(spiro[2.3]hexane-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(2-pyridin-4-ylphenyl)methyl]-1-(spiro[2.3]hexane-2-carbonyl)piperidine-4-carboxamide
PubChem CID110083446
Molecular FormulaC27H33N3O2
Molecular Weight431.58 g/mol
Exact Mass431.26
IUPAC NameN,N-dimethyl-4-[(2-pyridin-4-ylphenyl)methyl]-1-(spiro[2.3]hexane-2-carbonyl)piperidine-4-carboxamide
SMILESCN(C)C(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)C2CC23CCC3)CC1
InChIInChI=1S/C27H33N3O2/c1-29(2)25(32)27(18-21-6-3-4-7-22(21)20-8-14-28-15-9-20)12-16-30(17-13-27)24(31)23-19-26(23)10-5-11-26/h3-4,6-9,14-15,23H,5,10-13,16-19H2,1-2H3
InChIKeyCHVZPNPQUBIRRV-UHFFFAOYSA-N
XLogP4.18
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-[(2S)-spiro[2.3]hexane-2-carbonyl]pyrrolidine-3-carboxamide
CID 92605155
(3S)-N-methyl-3-[(2-phenylphenyl)methyl]-1-[(2S)-spiro[2.3]hexane-2-carbonyl]pyrrolidine-3-carboxamide
CID 92609663
N-methyl-3-[(2-phenylphenyl)methyl]-1-(spiro[2.3]hexane-2-carbonyl)pyrrolidine-3-carboxamide
CID 110230856
N,N-dimethyl-1-[(1S,2R)-2-methylcyclopropanecarbonyl]-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 124994587
(3R)-N-prop-2-enyl-3-[(2-pyridin-4-ylphenyl)methyl]-1-[(2R)-spiro[2.3]hexane-2-carbonyl]piperidine-3-carboxamide
CID 92548543
N,N-dimethyl-1-(2-methylpropanoyl)-4-[(2-phenylphenyl)methyl]piperidine-4-carboxamide
CID 110083632
1-(cyclobutanecarbonyl)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110230861
1-(cyclopentanecarbonyl)-N,N-dimethyl-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
CID 155982821
1-(cyclopropanecarbonyl)-N-ethyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083448
(3S)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 92605059
1-(cyclopropanecarbonyl)-N,N-dimethyl-4-[(4-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083669
N,N-dimethyl-1-(2-methylcyclopropanecarbonyl)-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
CID 110247292

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(2-pyridin-4-ylphenyl)methyl]-1-(spiro[2.3]hexane-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N,N-dimethyl-4-[(2-pyridin-4-ylphenyl)methyl]-1-(spiro[2.3]hexane-2-carbonyl)piperidine-4-carboxamide (CID 110083446) is N,N-dimethyl-4-[(2-pyridin-4-ylphenyl)methyl]-1-(spiro[2.3]hexane-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[(2-pyridin-4-ylphenyl)methyl]-1-(spiro[2.3]hexane-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[(2-pyridin-4-ylphenyl)methyl]-1-(spiro[2.3]hexane-2-carbonyl)piperidine-4-carboxamide is CN(C)C(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)C2CC23CCC3)CC1.
What is the InChIKey of N,N-dimethyl-4-[(2-pyridin-4-ylphenyl)methyl]-1-(spiro[2.3]hexane-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is CHVZPNPQUBIRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O2/c1-29(2)25(32)27(18-21-6-3-4-7-22(21)20-8-14-28-15-9-20)12-16-30(17-13-27)24(31)23-19-26(23)10-5-11-26/h3-4,6-9,14-15,23H,5,10-13,16-19H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[(2-pyridin-4-ylphenyl)methyl]-1-(spiro[2.3]hexane-2-carbonyl)piperidine-4-carboxamide?
N,N-dimethyl-4-[(2-pyridin-4-ylphenyl)methyl]-1-(spiro[2.3]hexane-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 431.58 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(2-pyridin-4-ylphenyl)methyl]-1-(spiro[2.3]hexane-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 110083446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).