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

C17H25N3O2 — CID 47029013

IUPAC1-acetyl-N-[2-[(dimethylamino)methyl]phenyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2ccccc2CN(C)C)CC1
InChIInChI=1S/C17H25N3O2/c1-13(21)20-10-8-14(9-11-20)17(22)18-16-7-5-4-6-15(16)12-19(2)3/h4-7,14H,8-12H2,1-3H3,(H,18,22)
InChIKeyNSUGIQAYABVJEW-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.95
Rot. Bonds4

About 1-acetyl-N-[2-[(dimethylamino)methyl]phenyl]piperidine-4-carboxamide

1-acetyl-N-[2-[(dimethylamino)methyl]phenyl]piperidine-4-carboxamide (PubChem CID 47029013) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-acetyl-N-[2-[(dimethylamino)methyl]phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-[(dimethylamino)methyl]phenyl]piperidine-4-carboxamide
PubChem CID47029013
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-acetyl-N-[2-[(dimethylamino)methyl]phenyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2ccccc2CN(C)C)CC1
InChIInChI=1S/C17H25N3O2/c1-13(21)20-10-8-14(9-11-20)17(22)18-16-7-5-4-6-15(16)12-19(2)3/h4-7,14H,8-12H2,1-3H3,(H,18,22)
InChIKeyNSUGIQAYABVJEW-UHFFFAOYSA-N
XLogP1.95
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-[2-(hydroxymethyl)phenyl]piperidine-4-carboxamide
CID 60655294
N-[2-[(dimethylamino)methyl]phenyl]cyclohexanecarboxamide
CID 31969965
N-[2-[(dimethylamino)methyl]phenyl]acetamide;ethane
CID 142252989
4-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
CID 119439439
ethyl 4-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]piperidine-1-carboxylate
CID 43044561
1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496
1-acetyl-N-(2-tert-butylphenyl)piperidine-4-carboxamide
CID 110686050
1-acetyl-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 6470827
N-[2-(diethylaminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride
CID 67513883
N-[2-[[acetyl(methyl)amino]methyl]phenyl]piperidine-4-carboxamide
CID 43704943
1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
1-acetyl-N-(9,10-dioxoanthracen-1-yl)piperidine-4-carboxamide
CID 108792195

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-[(dimethylamino)methyl]phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[2-[(dimethylamino)methyl]phenyl]piperidine-4-carboxamide (CID 47029013) is 1-acetyl-N-[2-[(dimethylamino)methyl]phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-[(dimethylamino)methyl]phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-[(dimethylamino)methyl]phenyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2ccccc2CN(C)C)CC1.
What is the InChIKey of 1-acetyl-N-[2-[(dimethylamino)methyl]phenyl]piperidine-4-carboxamide?
The InChIKey is NSUGIQAYABVJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13(21)20-10-8-14(9-11-20)17(22)18-16-7-5-4-6-15(16)12-19(2)3/h4-7,14H,8-12H2,1-3H3,(H,18,22).
What are the key properties of 1-acetyl-N-[2-[(dimethylamino)methyl]phenyl]piperidine-4-carboxamide?
1-acetyl-N-[2-[(dimethylamino)methyl]phenyl]piperidine-4-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-[(dimethylamino)methyl]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 47029013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).