4-methyl-3-(phenylcarbamoylamino)-N-(2-piperazin-1-ylethyl)benzamide

C21H27N5O2 — CID 119448778

IUPAC4-methyl-3-(phenylcarbamoylamino)-N-(2-piperazin-1-ylethyl)benzamide
SMILESCc1ccc(C(=O)NCCN2CCNCC2)cc1NC(=O)Nc1ccccc1
InChIInChI=1S/C21H27N5O2/c1-16-7-8-17(20(27)23-11-14-26-12-9-22-10-13-26)15-19(16)25-21(28)24-18-5-3-2-4-6-18/h2-8,15,22H,9-14H2,1H3,(H,23,27)(H2,24,25,28)
InChIKeyBNXCRCNKROIGJD-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.27
Rot. Bonds6

About 4-methyl-3-(phenylcarbamoylamino)-N-(2-piperazin-1-ylethyl)benzamide

4-methyl-3-(phenylcarbamoylamino)-N-(2-piperazin-1-ylethyl)benzamide (PubChem CID 119448778) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-methyl-3-(phenylcarbamoylamino)-N-(2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-methyl-3-(phenylcarbamoylamino)-N-(2-piperazin-1-ylethyl)benzamide
PubChem CID119448778
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name4-methyl-3-(phenylcarbamoylamino)-N-(2-piperazin-1-ylethyl)benzamide
SMILESCc1ccc(C(=O)NCCN2CCNCC2)cc1NC(=O)Nc1ccccc1
InChIInChI=1S/C21H27N5O2/c1-16-7-8-17(20(27)23-11-14-26-12-9-22-10-13-26)15-19(16)25-21(28)24-18-5-3-2-4-6-18/h2-8,15,22H,9-14H2,1H3,(H,23,27)(H2,24,25,28)
InChIKeyBNXCRCNKROIGJD-UHFFFAOYSA-N
XLogP2.27
TPSA85.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-methyl-3-(phenylcarbamoylamino)-N-(2-piperazin-1-ylethyl)benzamide 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

3-benzamido-4-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447939
4-benzamido-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447831
1-[5-(1,4-diazepane-1-carbonyl)-2-methylphenyl]-3-phenylurea
CID 119418250
3-benzamido-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 55723788
3-bromo-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 81471524
3-benzamido-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 17226356
3-(methanesulfonamido)-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392350
4-methyl-3-methylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide
CID 119446273
4-anilino-3-nitro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447833
4-(3,4-dimethylphenoxy)-3-[(4-phenylphenyl)carbamoylamino]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 11678370
4-methyl-3-(phenylcarbamoylamino)benzamide
CID 110472244
3-hydroxy-N-(2-piperazin-1-ylethyl)benzamide
CID 43600333

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(phenylcarbamoylamino)-N-(2-piperazin-1-ylethyl)benzamide?
The IUPAC name of 4-methyl-3-(phenylcarbamoylamino)-N-(2-piperazin-1-ylethyl)benzamide (CID 119448778) is 4-methyl-3-(phenylcarbamoylamino)-N-(2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for 4-methyl-3-(phenylcarbamoylamino)-N-(2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for 4-methyl-3-(phenylcarbamoylamino)-N-(2-piperazin-1-ylethyl)benzamide is Cc1ccc(C(=O)NCCN2CCNCC2)cc1NC(=O)Nc1ccccc1.
What is the InChIKey of 4-methyl-3-(phenylcarbamoylamino)-N-(2-piperazin-1-ylethyl)benzamide?
The InChIKey is BNXCRCNKROIGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-16-7-8-17(20(27)23-11-14-26-12-9-22-10-13-26)15-19(16)25-21(28)24-18-5-3-2-4-6-18/h2-8,15,22H,9-14H2,1H3,(H,23,27)(H2,24,25,28).
What are the key properties of 4-methyl-3-(phenylcarbamoylamino)-N-(2-piperazin-1-ylethyl)benzamide?
4-methyl-3-(phenylcarbamoylamino)-N-(2-piperazin-1-ylethyl)benzamide has a molecular weight of 381.48 g/mol, XLogP of 2.27, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(phenylcarbamoylamino)-N-(2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 119448778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).