1-acetyl-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-phenylpiperidine-4-carboxamide

C23H28N4O3 — CID 56523205

IUPAC1-acetyl-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-phenylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(C)CC(=O)Nc2cc(C)ccn2)(c2ccccc2)CC1
InChIInChI=1S/C23H28N4O3/c1-17-9-12-24-20(15-17)25-21(29)16-26(3)22(30)23(19-7-5-4-6-8-19)10-13-27(14-11-23)18(2)28/h4-9,12,15H,10-11,13-14,16H2,1-3H3,(H,24,25,29)
InChIKeyDTXDUPRSDLJOFM-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.37
Rot. Bonds5

About 1-acetyl-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-phenylpiperidine-4-carboxamide

1-acetyl-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-phenylpiperidine-4-carboxamide (PubChem CID 56523205) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-acetyl-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-phenylpiperidine-4-carboxamide
PubChem CID56523205
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name1-acetyl-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-phenylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(C)CC(=O)Nc2cc(C)ccn2)(c2ccccc2)CC1
InChIInChI=1S/C23H28N4O3/c1-17-9-12-24-20(15-17)25-21(29)16-26(3)22(30)23(19-7-5-4-6-8-19)10-13-27(14-11-23)18(2)28/h4-9,12,15H,10-11,13-14,16H2,1-3H3,(H,24,25,29)
InChIKeyDTXDUPRSDLJOFM-UHFFFAOYSA-N
XLogP2.37
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxamide
CID 56523181
N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 56523257
N-(4-methyl-2-pyridinyl)-1-phenylcyclobutane-1-carboxamide
CID 110439493
N-(4-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide
CID 4653745
N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentanecarboxamide
CID 166182865
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenyloxane-4-carboxamide
CID 55666606
N,4-dimethyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 155944690
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)cyclopropane-1-carboxamide
CID 55997836
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 31971501
N-(4-methyl-2-pyridinyl)-2-phenylacetamide
CID 4232423
2-[methyl(methylsulfonyl)amino]-N-(4-methyl-2-pyridinyl)acetamide
CID 47351627
1-acetyl-N-methyl-4-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 39915165

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-phenylpiperidine-4-carboxamide (CID 56523205) is 1-acetyl-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-phenylpiperidine-4-carboxamide is CC(=O)N1CCC(C(=O)N(C)CC(=O)Nc2cc(C)ccn2)(c2ccccc2)CC1.
What is the InChIKey of 1-acetyl-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-phenylpiperidine-4-carboxamide?
The InChIKey is DTXDUPRSDLJOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-17-9-12-24-20(15-17)25-21(29)16-26(3)22(30)23(19-7-5-4-6-8-19)10-13-27(14-11-23)18(2)28/h4-9,12,15H,10-11,13-14,16H2,1-3H3,(H,24,25,29).
What are the key properties of 1-acetyl-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-phenylpiperidine-4-carboxamide?
1-acetyl-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-phenylpiperidine-4-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 56523205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).