N-benzyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide

C14H19N3O2 — CID 110746863

IUPACN-benzyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide
SMILESCC1C(=O)N(C)CCN1C(=O)NCc1ccccc1
InChIInChI=1S/C14H19N3O2/c1-11-13(18)16(2)8-9-17(11)14(19)15-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,15,19)
InChIKeyJWEWQJZOFYTVFE-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.06
Rot. Bonds2

About N-benzyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide

N-benzyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide (PubChem CID 110746863) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-benzyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide
PubChem CID110746863
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-benzyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide
SMILESCC1C(=O)N(C)CCN1C(=O)NCc1ccccc1
InChIInChI=1S/C14H19N3O2/c1-11-13(18)16(2)8-9-17(11)14(19)15-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,15,19)
InChIKeyJWEWQJZOFYTVFE-UHFFFAOYSA-N
XLogP1.06
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 47121151
(3R)-1,3-dimethyl-4-(2-phenylmethoxyacetyl)piperazin-2-one
CID 95197684
N-benzyl-2-methyl-4-phenylpiperazine-1-carboxamide
CID 110746835
N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
(1R)-N-benzyl-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 906733
N-benzyl-3-methyl-4-oxopiperidine-1-carboxamide
CID 107653612
(1R,6R)-N-benzyl-3-methyl-3,7-diazabicyclo[4.2.0]octane-7-carboxamide
CID 155901269
2-butyl-N-[(4-methoxyphenyl)methyl]-4-methyl-3-oxopiperazine-1-carboxamide
CID 70737300
N-[(4-fluorophenyl)methyl]-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide
CID 56916075
N-benzyl-2,5-dimethylpiperazine-1-carboxamide
CID 107654149
2-(aminomethyl)-N-benzyl-3-methylpiperidine-1-carboxamide
CID 107654129
N-benzyl-2,6-dimethylpiperidine-1-carboxamide
CID 110755036

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-benzyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide (CID 110746863) is N-benzyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-benzyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-benzyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide is CC1C(=O)N(C)CCN1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide?
The InChIKey is JWEWQJZOFYTVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-11-13(18)16(2)8-9-17(11)14(19)15-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,15,19).
What are the key properties of N-benzyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide?
N-benzyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 110746863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).