N-[(4-acetamidophenyl)methyl]-3-methylpiperidine-3-carboxamide

C16H23N3O2 — CID 63134873

IUPACN-[(4-acetamidophenyl)methyl]-3-methylpiperidine-3-carboxamide
SMILESCC(=O)Nc1ccc(CNC(=O)C2(C)CCCNC2)cc1
InChIInChI=1S/C16H23N3O2/c1-12(20)19-14-6-4-13(5-7-14)10-18-15(21)16(2)8-3-9-17-11-16/h4-7,17H,3,8-11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyUZUDCULFFAVUOS-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.65
Rot. Bonds4

About N-[(4-acetamidophenyl)methyl]-3-methylpiperidine-3-carboxamide

N-[(4-acetamidophenyl)methyl]-3-methylpiperidine-3-carboxamide (PubChem CID 63134873) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methyl]-3-methylpiperidine-3-carboxamide
PubChem CID63134873
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[(4-acetamidophenyl)methyl]-3-methylpiperidine-3-carboxamide
SMILESCC(=O)Nc1ccc(CNC(=O)C2(C)CCCNC2)cc1
InChIInChI=1S/C16H23N3O2/c1-12(20)19-14-6-4-13(5-7-14)10-18-15(21)16(2)8-3-9-17-11-16/h4-7,17H,3,8-11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyUZUDCULFFAVUOS-UHFFFAOYSA-N
XLogP1.65
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119944132
N-[(4-hydroxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 113357142
N-(4-acetamidophenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943521
N-[4-(hydroxymethyl)phenyl]-3-methylpiperidine-3-carboxamide
CID 113397758
N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 103822034
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpyrrolidine-3-carboxamide
CID 107231126
3-methyl-N-(4-propylphenyl)piperidine-3-carboxamide
CID 63130315
N-[(3-chlorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 63130190
3-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119944291
N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 63131521
3-methyl-N-(4-pentylphenyl)piperidine-3-carboxamide
CID 63134870
N-[4-(ethylcarbamoyl)phenyl]-3-methylpiperidine-3-carboxamide
CID 63131115

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-3-methylpiperidine-3-carboxamide?
The IUPAC name of N-[(4-acetamidophenyl)methyl]-3-methylpiperidine-3-carboxamide (CID 63134873) is N-[(4-acetamidophenyl)methyl]-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-3-methylpiperidine-3-carboxamide?
The canonical SMILES for N-[(4-acetamidophenyl)methyl]-3-methylpiperidine-3-carboxamide is CC(=O)Nc1ccc(CNC(=O)C2(C)CCCNC2)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)methyl]-3-methylpiperidine-3-carboxamide?
The InChIKey is UZUDCULFFAVUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12(20)19-14-6-4-13(5-7-14)10-18-15(21)16(2)8-3-9-17-11-16/h4-7,17H,3,8-11H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[(4-acetamidophenyl)methyl]-3-methylpiperidine-3-carboxamide?
N-[(4-acetamidophenyl)methyl]-3-methylpiperidine-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methyl]-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 63134873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).