(2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide

C16H23ClN4O2 — CID 9389745

IUPAC(2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@H](C)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H23ClN4O2/c1-12(15(22)19-16(23)18-2)21-9-7-20(8-10-21)11-13-3-5-14(17)6-4-13/h3-6,12H,7-11H2,1-2H3,(H2,18,19,22,23)/t12-/m0/s1
InChIKeyNZWWTFVVYPMOFQ-LBPRGKRZSA-N
MW338.84 g/mol
LogP1.30
Rot. Bonds4

About (2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide

(2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide (PubChem CID 9389745) has the molecular formula C16H23ClN4O2 and a molecular weight of 338.84 g/mol. Its IUPAC name is (2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide
PubChem CID9389745
Molecular FormulaC16H23ClN4O2
Molecular Weight338.84 g/mol
Exact Mass338.15
IUPAC Name(2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@H](C)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H23ClN4O2/c1-12(15(22)19-16(23)18-2)21-9-7-20(8-10-21)11-13-3-5-14(17)6-4-13/h3-6,12H,7-11H2,1-2H3,(H2,18,19,22,23)/t12-/m0/s1
InChIKeyNZWWTFVVYPMOFQ-LBPRGKRZSA-N
XLogP1.30
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide 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

(2S)-N-(methylcarbamoyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propanamide
CID 9300430
(2S)-2-(4-benzylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide
CID 8902343
(2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 8531278
(2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclopentylpropanamide
CID 9389740
(2S)-N-(methylcarbamoyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide
CID 9047038
ethyl 2-(4-chlorophenyl)-2-[4-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperazin-1-yl]acetate
CID 42939526
ethyl (2R)-2-(4-chlorophenyl)-2-[4-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperazin-1-yl]acetate
CID 30723639
ethyl (2S)-2-(4-chlorophenyl)-2-[4-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperazin-1-yl]acetate
CID 30723646
(2S)-2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 35261539
(2S)-N-(methylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 9127707
2-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-N-(ethylcarbamoyl)propanamide
CID 87017625
(2R)-N-(methylcarbamoyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 2447593

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide?
The IUPAC name of (2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide (CID 9389745) is (2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for (2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for (2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)[C@H](C)N1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of (2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide?
The InChIKey is NZWWTFVVYPMOFQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23ClN4O2/c1-12(15(22)19-16(23)18-2)21-9-7-20(8-10-21)11-13-3-5-14(17)6-4-13/h3-6,12H,7-11H2,1-2H3,(H2,18,19,22,23)/t12-/m0/s1.
What are the key properties of (2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide?
(2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide has a molecular weight of 338.84 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 9389745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).