N-(ethylcarbamoyl)-2-[4-(3-phenylbutanoyl)piperazin-1-yl]propanamide

C20H30N4O3 — CID 47073336

IUPACN-(ethylcarbamoyl)-2-[4-(3-phenylbutanoyl)piperazin-1-yl]propanamide
SMILESCCNC(=O)NC(=O)C(C)N1CCN(C(=O)CC(C)c2ccccc2)CC1
InChIInChI=1S/C20H30N4O3/c1-4-21-20(27)22-19(26)16(3)23-10-12-24(13-11-23)18(25)14-15(2)17-8-6-5-7-9-17/h5-9,15-16H,4,10-14H2,1-3H3,(H2,21,22,26,27)
InChIKeyINHAATJWATZZRL-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.56
Rot. Bonds6

About N-(ethylcarbamoyl)-2-[4-(3-phenylbutanoyl)piperazin-1-yl]propanamide

N-(ethylcarbamoyl)-2-[4-(3-phenylbutanoyl)piperazin-1-yl]propanamide (PubChem CID 47073336) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-[4-(3-phenylbutanoyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-[4-(3-phenylbutanoyl)piperazin-1-yl]propanamide
PubChem CID47073336
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC NameN-(ethylcarbamoyl)-2-[4-(3-phenylbutanoyl)piperazin-1-yl]propanamide
SMILESCCNC(=O)NC(=O)C(C)N1CCN(C(=O)CC(C)c2ccccc2)CC1
InChIInChI=1S/C20H30N4O3/c1-4-21-20(27)22-19(26)16(3)23-10-12-24(13-11-23)18(25)14-15(2)17-8-6-5-7-9-17/h5-9,15-16H,4,10-14H2,1-3H3,(H2,21,22,26,27)
InChIKeyINHAATJWATZZRL-UHFFFAOYSA-N
XLogP1.56
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(methylcarbamoyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]propanamide
CID 52504142
2-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-N-(ethylcarbamoyl)propanamide
CID 87017625
2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-N-phenylpropanamide
CID 91340917
(3S)-1-(azepan-1-yl)-3-phenylbutan-1-one
CID 2164015
ethyl 4-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]piperazine-1-carboxylate
CID 8543837
N-(3-chloro-4-methylphenyl)-4-[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperazine-1-carboxamide
CID 97099947
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(ethylcarbamoyl)-2-phenylacetamide
CID 55432084
2,2-dimethyl-1-[4-(3-phenylbutanoyl)piperazin-1-yl]propan-1-one
CID 134021523
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(ethylcarbamoyl)propanamide
CID 46563112
(2R)-N-(ethylcarbamoyl)-2-phenyl-2-piperidin-1-ylacetamide
CID 26551632
(2S)-N-(benzylcarbamoyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 9250096
3-phenyl-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119401565

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-[4-(3-phenylbutanoyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(ethylcarbamoyl)-2-[4-(3-phenylbutanoyl)piperazin-1-yl]propanamide (CID 47073336) is N-(ethylcarbamoyl)-2-[4-(3-phenylbutanoyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-[4-(3-phenylbutanoyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-[4-(3-phenylbutanoyl)piperazin-1-yl]propanamide is CCNC(=O)NC(=O)C(C)N1CCN(C(=O)CC(C)c2ccccc2)CC1.
What is the InChIKey of N-(ethylcarbamoyl)-2-[4-(3-phenylbutanoyl)piperazin-1-yl]propanamide?
The InChIKey is INHAATJWATZZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-4-21-20(27)22-19(26)16(3)23-10-12-24(13-11-23)18(25)14-15(2)17-8-6-5-7-9-17/h5-9,15-16H,4,10-14H2,1-3H3,(H2,21,22,26,27).
What are the key properties of N-(ethylcarbamoyl)-2-[4-(3-phenylbutanoyl)piperazin-1-yl]propanamide?
N-(ethylcarbamoyl)-2-[4-(3-phenylbutanoyl)piperazin-1-yl]propanamide has a molecular weight of 374.49 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-[4-(3-phenylbutanoyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 47073336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).