N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide

C21H33N3O2 — CID 47989411

IUPACN-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
SMILESCN(C)Cc1ccccc1CNC(=O)C1CCCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C21H33N3O2/c1-21(2,3)20(26)24-12-8-11-18(15-24)19(25)22-13-16-9-6-7-10-17(16)14-23(4)5/h6-7,9-10,18H,8,11-15H2,1-5H3,(H,22,25)
InChIKeyAMUHAVUIFPGDOT-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.65
Rot. Bonds5

About N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide (PubChem CID 47989411) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
PubChem CID47989411
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
SMILESCN(C)Cc1ccccc1CNC(=O)C1CCCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C21H33N3O2/c1-21(2,3)20(26)24-12-8-11-18(15-24)19(25)22-13-16-9-6-7-10-17(16)14-23(4)5/h6-7,9-10,18H,8,11-15H2,1-5H3,(H,22,25)
InChIKeyAMUHAVUIFPGDOT-UHFFFAOYSA-N
XLogP2.65
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9069548
1-(2,2-dimethylpropanoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 47989978
(3R)-1-(2,2-dimethylpropanoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 95149532
1-(2,2-dimethylpropanoyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 47984523
(3R)-1-acetyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 94434549
(3S)-3-N-[[2-(diethylaminomethyl)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9074260
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 46456130
(3R)-N-(3-anilinopropyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 95307693
1-(2,2-dimethylpropanoyl)-N-(3-hydroxy-3-phenylpropyl)piperidine-3-carboxamide
CID 111471679
1-(2,2-dimethylpropanoyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 46470618
1-(2,2-dimethylpropanoyl)-N-propylpiperidine-3-carboxamide
CID 47986666
(3R)-N-(2-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857586

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide?
The IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide (CID 47989411) is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide is CN(C)Cc1ccccc1CNC(=O)C1CCCN(C(=O)C(C)(C)C)C1.
What is the InChIKey of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide?
The InChIKey is AMUHAVUIFPGDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-21(2,3)20(26)24-12-8-11-18(15-24)19(25)22-13-16-9-6-7-10-17(16)14-23(4)5/h6-7,9-10,18H,8,11-15H2,1-5H3,(H,22,25).
What are the key properties of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide?
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide has a molecular weight of 359.51 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 47989411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).