N-[1-(3-acetamidophenyl)ethyl]-3-methylpiperidine-3-carboxamide

C17H25N3O2 — CID 119944327

IUPACN-[1-(3-acetamidophenyl)ethyl]-3-methylpiperidine-3-carboxamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)C2(C)CCCNC2)c1
InChIInChI=1S/C17H25N3O2/c1-12(14-6-4-7-15(10-14)20-13(2)21)19-16(22)17(3)8-5-9-18-11-17/h4,6-7,10,12,18H,5,8-9,11H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyBZVKIPPPRLAKMU-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.21
Rot. Bonds4

About N-[1-(3-acetamidophenyl)ethyl]-3-methylpiperidine-3-carboxamide

N-[1-(3-acetamidophenyl)ethyl]-3-methylpiperidine-3-carboxamide (PubChem CID 119944327) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethyl]-3-methylpiperidine-3-carboxamide
PubChem CID119944327
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[1-(3-acetamidophenyl)ethyl]-3-methylpiperidine-3-carboxamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)C2(C)CCCNC2)c1
InChIInChI=1S/C17H25N3O2/c1-12(14-6-4-7-15(10-14)20-13(2)21)19-16(22)17(3)8-5-9-18-11-17/h4,6-7,10,12,18H,5,8-9,11H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyBZVKIPPPRLAKMU-UHFFFAOYSA-N
XLogP2.21
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119943872
3-methyl-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 78952958
N-(3-acetylphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943623
N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 81373361
N-(4-acetamidophenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943521
3-methyl-N-[1-(3-nitrophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63139771
N-(3-chlorophenyl)-3-methylpiperidine-3-carboxamide
CID 63132655
N-[1-(3-acetamidophenyl)ethyl]-1-(aminomethyl)cyclobutane-1-carboxamide
CID 115448197
3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]piperidine-3-carboxamide
CID 119945380
N-[1-(3-bromophenyl)ethyl]-1-methylcyclopentane-1-carboxamide
CID 112726205
N-[1-(3-acetamidophenyl)ethyl]piperidine-3-carboxamide
CID 60981088
N-[1-(2-chlorophenyl)ethyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943839

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-3-methylpiperidine-3-carboxamide?
The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-3-methylpiperidine-3-carboxamide (CID 119944327) is N-[1-(3-acetamidophenyl)ethyl]-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]-3-methylpiperidine-3-carboxamide?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]-3-methylpiperidine-3-carboxamide is CC(=O)Nc1cccc(C(C)NC(=O)C2(C)CCCNC2)c1.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]-3-methylpiperidine-3-carboxamide?
The InChIKey is BZVKIPPPRLAKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12(14-6-4-7-15(10-14)20-13(2)21)19-16(22)17(3)8-5-9-18-11-17/h4,6-7,10,12,18H,5,8-9,11H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of N-[1-(3-acetamidophenyl)ethyl]-3-methylpiperidine-3-carboxamide?
N-[1-(3-acetamidophenyl)ethyl]-3-methylpiperidine-3-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidophenyl)ethyl]-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 119944327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).