N-[2-[[acetyl(methyl)amino]methyl]phenyl]piperidine-4-carboxamide

C16H23N3O2 — CID 43704943

IUPACN-[2-[[acetyl(methyl)amino]methyl]phenyl]piperidine-4-carboxamide
SMILESCC(=O)N(C)Cc1ccccc1NC(=O)C1CCNCC1
InChIInChI=1S/C16H23N3O2/c1-12(20)19(2)11-14-5-3-4-6-15(14)18-16(21)13-7-9-17-10-8-13/h3-6,13,17H,7-11H2,1-2H3,(H,18,21)
InChIKeyHEUQSNMNEUTUFF-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.60
Rot. Bonds4

About N-[2-[[acetyl(methyl)amino]methyl]phenyl]piperidine-4-carboxamide

N-[2-[[acetyl(methyl)amino]methyl]phenyl]piperidine-4-carboxamide (PubChem CID 43704943) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[2-[[acetyl(methyl)amino]methyl]phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[[acetyl(methyl)amino]methyl]phenyl]piperidine-4-carboxamide
PubChem CID43704943
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[2-[[acetyl(methyl)amino]methyl]phenyl]piperidine-4-carboxamide
SMILESCC(=O)N(C)Cc1ccccc1NC(=O)C1CCNCC1
InChIInChI=1S/C16H23N3O2/c1-12(20)19(2)11-14-5-3-4-6-15(14)18-16(21)13-7-9-17-10-8-13/h3-6,13,17H,7-11H2,1-2H3,(H,18,21)
InChIKeyHEUQSNMNEUTUFF-UHFFFAOYSA-N
XLogP1.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-aminocyclopentane-1-carboxamide
CID 66007479
N-[2-(aminomethyl)phenyl]piperidine-4-carboxamide
CID 110482330
1-acetyl-N-[2-[(dimethylamino)methyl]phenyl]piperidine-4-carboxamide
CID 47029013
N-[(2R)-1-[2-[[acetyl(methyl)amino]methyl]anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 94180749
N-[2-[(dimethylamino)methyl]phenyl]cyclohexanecarboxamide
CID 31969965
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(cyclohexanecarbonylamino)benzamide
CID 32582405
N-[2-(methoxymethyl)phenyl]pyrrolidine-3-carboxamide
CID 63007076
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-2-(azetidin-3-ylidene)propanamide
CID 116675402
N-[2-(diethylaminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride
CID 67513883
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 60867454
1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
N-naphthalen-1-ylpiperidine-4-carboxamide
CID 18073022

Frequently Asked Questions

What is the IUPAC name of N-[2-[[acetyl(methyl)amino]methyl]phenyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-[[acetyl(methyl)amino]methyl]phenyl]piperidine-4-carboxamide (CID 43704943) is N-[2-[[acetyl(methyl)amino]methyl]phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-[[acetyl(methyl)amino]methyl]phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-[[acetyl(methyl)amino]methyl]phenyl]piperidine-4-carboxamide is CC(=O)N(C)Cc1ccccc1NC(=O)C1CCNCC1.
What is the InChIKey of N-[2-[[acetyl(methyl)amino]methyl]phenyl]piperidine-4-carboxamide?
The InChIKey is HEUQSNMNEUTUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12(20)19(2)11-14-5-3-4-6-15(14)18-16(21)13-7-9-17-10-8-13/h3-6,13,17H,7-11H2,1-2H3,(H,18,21).
What are the key properties of N-[2-[[acetyl(methyl)amino]methyl]phenyl]piperidine-4-carboxamide?
N-[2-[[acetyl(methyl)amino]methyl]phenyl]piperidine-4-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[acetyl(methyl)amino]methyl]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 43704943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).