(2S)-2-(4-benzylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide

C16H24N4O2 — CID 8902343

IUPAC(2S)-2-(4-benzylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@H](C)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H24N4O2/c1-13(15(21)18-16(22)17-2)20-10-8-19(9-11-20)12-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H2,17,18,21,22)/t13-/m0/s1
InChIKeyDXQUBLCQROPMJL-ZDUSSCGKSA-N
MW304.39 g/mol
LogP0.65
Rot. Bonds4

About (2S)-2-(4-benzylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide

(2S)-2-(4-benzylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide (PubChem CID 8902343) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (2S)-2-(4-benzylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-benzylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide
PubChem CID8902343
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name(2S)-2-(4-benzylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@H](C)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H24N4O2/c1-13(15(21)18-16(22)17-2)20-10-8-19(9-11-20)12-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H2,17,18,21,22)/t13-/m0/s1
InChIKeyDXQUBLCQROPMJL-ZDUSSCGKSA-N
XLogP0.65
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 9389745
(2S)-N-(methylcarbamoyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propanamide
CID 9300430
(2S)-N-(methylcarbamoyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide
CID 9047038
2-(4-benzylpiperazin-1-yl)propanehydrazide
CID 63569395
(2R)-N-(methylcarbamoyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 2447593
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)propanamide
CID 1439293
2-(4-benzyl-1,4-diazepan-1-yl)-N-(cyclohexylcarbamoyl)propanamide
CID 55511454
(2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 8531278
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 2410459
2-(4-benzylpiperazin-1-yl)-N-(3-phenylpropyl)propanamide
CID 11793239
(2S)-2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 35261539
N-(benzylcarbamoyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 55470639

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-benzylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide?
The IUPAC name of (2S)-2-(4-benzylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide (CID 8902343) is (2S)-2-(4-benzylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for (2S)-2-(4-benzylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide?
The canonical SMILES for (2S)-2-(4-benzylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)[C@H](C)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (2S)-2-(4-benzylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide?
The InChIKey is DXQUBLCQROPMJL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-13(15(21)18-16(22)17-2)20-10-8-19(9-11-20)12-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H2,17,18,21,22)/t13-/m0/s1.
What are the key properties of (2S)-2-(4-benzylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide?
(2S)-2-(4-benzylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide has a molecular weight of 304.39 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-benzylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 8902343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).