N-(methylcarbamoyl)-4-(2-methylphenyl)piperazine-1-carboxamide

C14H20N4O2 — CID 3066930

IUPACN-(methylcarbamoyl)-4-(2-methylphenyl)piperazine-1-carboxamide
SMILESCNC(=O)NC(=O)N1CCN(c2ccccc2C)CC1
InChIInChI=1S/C14H20N4O2/c1-11-5-3-4-6-12(11)17-7-9-18(10-8-17)14(20)16-13(19)15-2/h3-6H,7-10H2,1-2H3,(H2,15,16,19,20)
InChIKeyORJZXZPYURECRK-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.17
Rot. Bonds1

About N-(methylcarbamoyl)-4-(2-methylphenyl)piperazine-1-carboxamide

N-(methylcarbamoyl)-4-(2-methylphenyl)piperazine-1-carboxamide (PubChem CID 3066930) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(methylcarbamoyl)-4-(2-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-4-(2-methylphenyl)piperazine-1-carboxamide
PubChem CID3066930
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-(methylcarbamoyl)-4-(2-methylphenyl)piperazine-1-carboxamide
SMILESCNC(=O)NC(=O)N1CCN(c2ccccc2C)CC1
InChIInChI=1S/C14H20N4O2/c1-11-5-3-4-6-12(11)17-7-9-18(10-8-17)14(20)16-13(19)15-2/h3-6H,7-10H2,1-2H3,(H2,15,16,19,20)
InChIKeyORJZXZPYURECRK-UHFFFAOYSA-N
XLogP1.17
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(methylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide
CID 18086306
N-(4-methoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 30938006
2-chloro-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 4741212
4-(2-methylphenyl)-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111071
N-(3-bromo-4-methylphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 113111047
4-(2-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide
CID 18129548
methyl 4-[[4-(2-methylphenyl)piperazine-1-carbonyl]amino]benzoate
CID 113111065
(Z)-1-[4-(2-methylphenyl)piperazin-1-yl]but-2-en-1-one
CID 97305216
2-(cyclopropylmethylamino)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 61254430
N-(1,1-dioxothiolan-3-yl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 18532804
4-(2-methylphenyl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]piperazine-1-carboxamide
CID 25479399
N-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 113111056

Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-4-(2-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(methylcarbamoyl)-4-(2-methylphenyl)piperazine-1-carboxamide (CID 3066930) is N-(methylcarbamoyl)-4-(2-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(methylcarbamoyl)-4-(2-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(methylcarbamoyl)-4-(2-methylphenyl)piperazine-1-carboxamide is CNC(=O)NC(=O)N1CCN(c2ccccc2C)CC1.
What is the InChIKey of N-(methylcarbamoyl)-4-(2-methylphenyl)piperazine-1-carboxamide?
The InChIKey is ORJZXZPYURECRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-11-5-3-4-6-12(11)17-7-9-18(10-8-17)14(20)16-13(19)15-2/h3-6H,7-10H2,1-2H3,(H2,15,16,19,20).
What are the key properties of N-(methylcarbamoyl)-4-(2-methylphenyl)piperazine-1-carboxamide?
N-(methylcarbamoyl)-4-(2-methylphenyl)piperazine-1-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-4-(2-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 3066930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).