N,N-dimethyl-4-[(3-phenylphenyl)methyl]-1-(2-pyridin-3-ylacetyl)piperidine-4-carboxamide

C28H31N3O2 — CID 155982938

IUPACN,N-dimethyl-4-[(3-phenylphenyl)methyl]-1-(2-pyridin-3-ylacetyl)piperidine-4-carboxamide
SMILESCN(C)C(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)Cc2cccnc2)CC1
InChIInChI=1S/C28H31N3O2/c1-30(2)27(33)28(20-22-8-6-12-25(18-22)24-10-4-3-5-11-24)13-16-31(17-14-28)26(32)19-23-9-7-15-29-21-23/h3-12,15,18,21H,13-14,16-17,19-20H2,1-2H3
InChIKeyBSNBNYRRHLXTBP-UHFFFAOYSA-N
MW441.58 g/mol
LogP4.23
Rot. Bonds6

About N,N-dimethyl-4-[(3-phenylphenyl)methyl]-1-(2-pyridin-3-ylacetyl)piperidine-4-carboxamide

N,N-dimethyl-4-[(3-phenylphenyl)methyl]-1-(2-pyridin-3-ylacetyl)piperidine-4-carboxamide (PubChem CID 155982938) has the molecular formula C28H31N3O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is N,N-dimethyl-4-[(3-phenylphenyl)methyl]-1-(2-pyridin-3-ylacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(3-phenylphenyl)methyl]-1-(2-pyridin-3-ylacetyl)piperidine-4-carboxamide
PubChem CID155982938
Molecular FormulaC28H31N3O2
Molecular Weight441.58 g/mol
Exact Mass441.24
IUPAC NameN,N-dimethyl-4-[(3-phenylphenyl)methyl]-1-(2-pyridin-3-ylacetyl)piperidine-4-carboxamide
SMILESCN(C)C(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)Cc2cccnc2)CC1
InChIInChI=1S/C28H31N3O2/c1-30(2)27(33)28(20-22-8-6-12-25(18-22)24-10-4-3-5-11-24)13-16-31(17-14-28)26(32)19-23-9-7-15-29-21-23/h3-12,15,18,21H,13-14,16-17,19-20H2,1-2H3
InChIKeyBSNBNYRRHLXTBP-UHFFFAOYSA-N
XLogP4.23
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-[(3-phenylphenyl)methyl]-4-(2-pyridin-3-ylacetyl)morpholine-2-carboxamide
CID 110233157
1-(2,2-dimethylpropanoyl)-N,N-dimethyl-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083917
1-(cyclopropanecarbonyl)-N,N-dimethyl-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide
CID 110084041
(3S)-N,N-dimethyl-1-(2-phenylacetyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92604924
(3S)-N,N-dimethyl-1-[2-(3-methylphenyl)acetyl]-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92560568
N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxamide
CID 110243400
1-[2-(3-methylphenyl)acetyl]-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805777
(3R)-N,N-dimethyl-1-(2-pyridin-3-ylacetyl)-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92605333
N,N-dimethyl-4-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide
CID 155982870
(3R)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide
CID 92605455
1-butanoyl-N,N-dimethyl-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110229625
(3S)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 92605591

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(3-phenylphenyl)methyl]-1-(2-pyridin-3-ylacetyl)piperidine-4-carboxamide?
The IUPAC name of N,N-dimethyl-4-[(3-phenylphenyl)methyl]-1-(2-pyridin-3-ylacetyl)piperidine-4-carboxamide (CID 155982938) is N,N-dimethyl-4-[(3-phenylphenyl)methyl]-1-(2-pyridin-3-ylacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[(3-phenylphenyl)methyl]-1-(2-pyridin-3-ylacetyl)piperidine-4-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[(3-phenylphenyl)methyl]-1-(2-pyridin-3-ylacetyl)piperidine-4-carboxamide is CN(C)C(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)Cc2cccnc2)CC1.
What is the InChIKey of N,N-dimethyl-4-[(3-phenylphenyl)methyl]-1-(2-pyridin-3-ylacetyl)piperidine-4-carboxamide?
The InChIKey is BSNBNYRRHLXTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O2/c1-30(2)27(33)28(20-22-8-6-12-25(18-22)24-10-4-3-5-11-24)13-16-31(17-14-28)26(32)19-23-9-7-15-29-21-23/h3-12,15,18,21H,13-14,16-17,19-20H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[(3-phenylphenyl)methyl]-1-(2-pyridin-3-ylacetyl)piperidine-4-carboxamide?
N,N-dimethyl-4-[(3-phenylphenyl)methyl]-1-(2-pyridin-3-ylacetyl)piperidine-4-carboxamide has a molecular weight of 441.58 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(3-phenylphenyl)methyl]-1-(2-pyridin-3-ylacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 155982938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).