4-(4-carbamoylphenyl)-N-(2-chloro-6-methoxyphenyl)piperazine-1-carboxamide

C19H21ClN4O3 — CID 167764760

IUPAC4-(4-carbamoylphenyl)-N-(2-chloro-6-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cccc(Cl)c1NC(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C19H21ClN4O3/c1-27-16-4-2-3-15(20)17(16)22-19(26)24-11-9-23(10-12-24)14-7-5-13(6-8-14)18(21)25/h2-8H,9-12H2,1H3,(H2,21,25)(H,22,26)
InChIKeyUWYIYSBCMNUNPE-UHFFFAOYSA-N
MW388.86 g/mol
LogP2.80
Rot. Bonds4

About 4-(4-carbamoylphenyl)-N-(2-chloro-6-methoxyphenyl)piperazine-1-carboxamide

4-(4-carbamoylphenyl)-N-(2-chloro-6-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 167764760) has the molecular formula C19H21ClN4O3 and a molecular weight of 388.86 g/mol. Its IUPAC name is 4-(4-carbamoylphenyl)-N-(2-chloro-6-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-carbamoylphenyl)-N-(2-chloro-6-methoxyphenyl)piperazine-1-carboxamide
PubChem CID167764760
Molecular FormulaC19H21ClN4O3
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC Name4-(4-carbamoylphenyl)-N-(2-chloro-6-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cccc(Cl)c1NC(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C19H21ClN4O3/c1-27-16-4-2-3-15(20)17(16)22-19(26)24-11-9-23(10-12-24)14-7-5-13(6-8-14)18(21)25/h2-8H,9-12H2,1H3,(H2,21,25)(H,22,26)
InChIKeyUWYIYSBCMNUNPE-UHFFFAOYSA-N
XLogP2.80
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(4-carbamoylphenyl)-N-(2-chloro-6-methoxyphenyl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-aminophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide
CID 59419439
N-(2,6-dichlorophenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 3696119
4-[3-[(5-chloro-2-methoxyphenyl)carbamoylamino]phenyl]-N-(2,6-dichlorophenyl)piperazine-1-carboxamide
CID 11541237
4-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 3686318
N-(3-chloro-4-methoxyphenyl)-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 108989593
5-chloro-6-[4-[(2,6-dimethoxyphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 141193590
ethyl 3-[4-[4-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]anilino]-3-oxopropanoate
CID 58258592
N-(2-chloro-6-fluorophenyl)-4-phenylpiperazine-1-carboxamide
CID 108896638
4-(2-chlorophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide
CID 3669045
N-(2,6-dichlorophenyl)-4-methylpiperazine-1-carboxamide
CID 108988464
4-[4-(3-aminobutanoylamino)phenyl]-N-(2,6-dichlorophenyl)piperazine-1-carboxamide
CID 70863115
4-(3-chloro-4-methylphenyl)-N-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 113111875

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbamoylphenyl)-N-(2-chloro-6-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-carbamoylphenyl)-N-(2-chloro-6-methoxyphenyl)piperazine-1-carboxamide (CID 167764760) is 4-(4-carbamoylphenyl)-N-(2-chloro-6-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-carbamoylphenyl)-N-(2-chloro-6-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-carbamoylphenyl)-N-(2-chloro-6-methoxyphenyl)piperazine-1-carboxamide is COc1cccc(Cl)c1NC(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1.
What is the InChIKey of 4-(4-carbamoylphenyl)-N-(2-chloro-6-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is UWYIYSBCMNUNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3/c1-27-16-4-2-3-15(20)17(16)22-19(26)24-11-9-23(10-12-24)14-7-5-13(6-8-14)18(21)25/h2-8H,9-12H2,1H3,(H2,21,25)(H,22,26).
What are the key properties of 4-(4-carbamoylphenyl)-N-(2-chloro-6-methoxyphenyl)piperazine-1-carboxamide?
4-(4-carbamoylphenyl)-N-(2-chloro-6-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 388.86 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbamoylphenyl)-N-(2-chloro-6-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 167764760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).