N-(3-amino-2,2-dimethylpropyl)-N,1-dimethyl-6-oxo-2-phenylpiperidine-3-carboxamide

C19H29N3O2 — CID 119654753

IUPACN-(3-amino-2,2-dimethylpropyl)-N,1-dimethyl-6-oxo-2-phenylpiperidine-3-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)C1CCC(=O)N(C)C1c1ccccc1
InChIInChI=1S/C19H29N3O2/c1-19(2,12-20)13-21(3)18(24)15-10-11-16(23)22(4)17(15)14-8-6-5-7-9-14/h5-9,15,17H,10-13,20H2,1-4H3
InChIKeyYDHDKXJMFPKDPU-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.04
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-N,1-dimethyl-6-oxo-2-phenylpiperidine-3-carboxamide

N-(3-amino-2,2-dimethylpropyl)-N,1-dimethyl-6-oxo-2-phenylpiperidine-3-carboxamide (PubChem CID 119654753) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N,1-dimethyl-6-oxo-2-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N,1-dimethyl-6-oxo-2-phenylpiperidine-3-carboxamide
PubChem CID119654753
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N,1-dimethyl-6-oxo-2-phenylpiperidine-3-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)C1CCC(=O)N(C)C1c1ccccc1
InChIInChI=1S/C19H29N3O2/c1-19(2,12-20)13-21(3)18(24)15-10-11-16(23)22(4)17(15)14-8-6-5-7-9-14/h5-9,15,17H,10-13,20H2,1-4H3
InChIKeyYDHDKXJMFPKDPU-UHFFFAOYSA-N
XLogP2.04
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenyloxane-3-carboxamide
CID 119653593
2-(4-methoxyphenyl)-N,1-dimethyl-6-oxo-N-(2-phenylethyl)piperidine-3-carboxamide
CID 171130298
N-(2-aminoethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide;hydrochloride
CID 119383801
2-[methyl-(1-methyl-5-oxo-2-phenylpyrrolidine-3-carbonyl)amino]acetic acid
CID 102560091
3-[[2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carbonyl]-methylamino]propanoic acid
CID 119362478
5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1-methyl-6-phenylpiperidin-2-one
CID 119485273
(2R,3R)-N-benzyl-1-ethyl-N-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 110086806
2-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N,1-dimethyl-6-oxopiperidine-3-carboxamide
CID 155949173
1-methyl-5-(4-methylpiperidine-1-carbonyl)-6-phenylpiperidin-2-one
CID 56730517
4-[methyl-[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]butanoic acid
CID 119172685
(2R,3R)-N,N-diethyl-2-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 97457688
ethyl 4-[(1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]benzoate
CID 42652876

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N,1-dimethyl-6-oxo-2-phenylpiperidine-3-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N,1-dimethyl-6-oxo-2-phenylpiperidine-3-carboxamide (CID 119654753) is N-(3-amino-2,2-dimethylpropyl)-N,1-dimethyl-6-oxo-2-phenylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N,1-dimethyl-6-oxo-2-phenylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N,1-dimethyl-6-oxo-2-phenylpiperidine-3-carboxamide is CN(CC(C)(C)CN)C(=O)C1CCC(=O)N(C)C1c1ccccc1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N,1-dimethyl-6-oxo-2-phenylpiperidine-3-carboxamide?
The InChIKey is YDHDKXJMFPKDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-19(2,12-20)13-21(3)18(24)15-10-11-16(23)22(4)17(15)14-8-6-5-7-9-14/h5-9,15,17H,10-13,20H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N,1-dimethyl-6-oxo-2-phenylpiperidine-3-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-N,1-dimethyl-6-oxo-2-phenylpiperidine-3-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N,1-dimethyl-6-oxo-2-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 119654753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).