(2S)-N-(methylcarbamoyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]propanamide

C19H28N4O3 — CID 52504142

IUPAC(2S)-N-(methylcarbamoyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]propanamide
SMILESCNC(=O)NC(=O)[C@H](C)N1CCN(C(=O)C[C@@H](C)c2ccccc2)CC1
InChIInChI=1S/C19H28N4O3/c1-14(16-7-5-4-6-8-16)13-17(24)23-11-9-22(10-12-23)15(2)18(25)21-19(26)20-3/h4-8,14-15H,9-13H2,1-3H3,(H2,20,21,25,26)/t14-,15+/m1/s1
InChIKeyGMMFSWAMBRKFGU-CABCVRRESA-N
MW360.46 g/mol
LogP1.17
Rot. Bonds5

About (2S)-N-(methylcarbamoyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]propanamide

(2S)-N-(methylcarbamoyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]propanamide (PubChem CID 52504142) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is (2S)-N-(methylcarbamoyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(methylcarbamoyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]propanamide
PubChem CID52504142
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name(2S)-N-(methylcarbamoyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]propanamide
SMILESCNC(=O)NC(=O)[C@H](C)N1CCN(C(=O)C[C@@H](C)c2ccccc2)CC1
InChIInChI=1S/C19H28N4O3/c1-14(16-7-5-4-6-8-16)13-17(24)23-11-9-22(10-12-23)15(2)18(25)21-19(26)20-3/h4-8,14-15H,9-13H2,1-3H3,(H2,20,21,25,26)/t14-,15+/m1/s1
InChIKeyGMMFSWAMBRKFGU-CABCVRRESA-N
XLogP1.17
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-(methylcarbamoyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]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

N-(ethylcarbamoyl)-2-[4-(3-phenylbutanoyl)piperazin-1-yl]propanamide
CID 47073336
N-(methylcarbamoyl)-3-[4-(3-phenylbutanoyl)piperazin-1-yl]propanamide
CID 47532172
(2R)-N-(methylcarbamoyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 2447593
(2S)-2-(4-benzylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide
CID 8902343
2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-N-phenylpropanamide
CID 91340917
(3S)-1-(azepan-1-yl)-3-phenylbutan-1-one
CID 2164015
1-[4-(methylamino)piperidin-1-yl]-3-phenylbutan-1-one;hydrochloride
CID 119561474
2,2-dimethyl-1-[4-(3-phenylbutanoyl)piperazin-1-yl]propan-1-one
CID 134021523
N-(methylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide
CID 18086306
3-phenyl-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119401565
(2S)-N-(methylcarbamoyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide
CID 9047038
1-(4-aminopiperidin-1-yl)-3-phenylbutan-1-one
CID 72638559

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(methylcarbamoyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-(methylcarbamoyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]propanamide (CID 52504142) is (2S)-N-(methylcarbamoyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(methylcarbamoyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(methylcarbamoyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]propanamide is CNC(=O)NC(=O)[C@H](C)N1CCN(C(=O)C[C@@H](C)c2ccccc2)CC1.
What is the InChIKey of (2S)-N-(methylcarbamoyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]propanamide?
The InChIKey is GMMFSWAMBRKFGU-CABCVRRESA-N. The full InChI is InChI=1S/C19H28N4O3/c1-14(16-7-5-4-6-8-16)13-17(24)23-11-9-22(10-12-23)15(2)18(25)21-19(26)20-3/h4-8,14-15H,9-13H2,1-3H3,(H2,20,21,25,26)/t14-,15+/m1/s1.
What are the key properties of (2S)-N-(methylcarbamoyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]propanamide?
(2S)-N-(methylcarbamoyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]propanamide has a molecular weight of 360.46 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(methylcarbamoyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 52504142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).