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

C19H28N4O3 — CID 47532172

IUPACN-(methylcarbamoyl)-3-[4-(3-phenylbutanoyl)piperazin-1-yl]propanamide
SMILESCNC(=O)NC(=O)CCN1CCN(C(=O)CC(C)c2ccccc2)CC1
InChIInChI=1S/C19H28N4O3/c1-15(16-6-4-3-5-7-16)14-18(25)23-12-10-22(11-13-23)9-8-17(24)21-19(26)20-2/h3-7,15H,8-14H2,1-2H3,(H2,20,21,24,26)
InChIKeyDDNOGOOYBPZXFN-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.17
Rot. Bonds6

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

N-(methylcarbamoyl)-3-[4-(3-phenylbutanoyl)piperazin-1-yl]propanamide (PubChem CID 47532172) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(methylcarbamoyl)-3-[4-(3-phenylbutanoyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-3-[4-(3-phenylbutanoyl)piperazin-1-yl]propanamide
PubChem CID47532172
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC NameN-(methylcarbamoyl)-3-[4-(3-phenylbutanoyl)piperazin-1-yl]propanamide
SMILESCNC(=O)NC(=O)CCN1CCN(C(=O)CC(C)c2ccccc2)CC1
InChIInChI=1S/C19H28N4O3/c1-15(16-6-4-3-5-7-16)14-18(25)23-12-10-22(11-13-23)9-8-17(24)21-19(26)20-2/h3-7,15H,8-14H2,1-2H3,(H2,20,21,24,26)
InChIKeyDDNOGOOYBPZXFN-UHFFFAOYSA-N
XLogP1.17
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

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Related Compounds

(2S)-N-(methylcarbamoyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]propanamide
CID 52504142
(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
3-(4-fluorophenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]butan-1-one
CID 55924108
N-(2-ethylphenyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]acetamide
CID 9022351
N-(2-chlorophenyl)-2-[4-[(3S)-3-phenylbutanoyl]piperazin-1-yl]acetamide
CID 9020714
1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-3-phenylbutan-1-one
CID 55359604
3-phenyl-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119401565
N-(ethylcarbamoyl)-2-[4-(3-phenylbutanoyl)piperazin-1-yl]propanamide
CID 47073336
N-(methylcarbamoyl)-3-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide
CID 55628304
2-[4-[(3S)-3-phenylbutanoyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 25496752

Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-3-[4-(3-phenylbutanoyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(methylcarbamoyl)-3-[4-(3-phenylbutanoyl)piperazin-1-yl]propanamide (CID 47532172) is N-(methylcarbamoyl)-3-[4-(3-phenylbutanoyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(methylcarbamoyl)-3-[4-(3-phenylbutanoyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(methylcarbamoyl)-3-[4-(3-phenylbutanoyl)piperazin-1-yl]propanamide is CNC(=O)NC(=O)CCN1CCN(C(=O)CC(C)c2ccccc2)CC1.
What is the InChIKey of N-(methylcarbamoyl)-3-[4-(3-phenylbutanoyl)piperazin-1-yl]propanamide?
The InChIKey is DDNOGOOYBPZXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-15(16-6-4-3-5-7-16)14-18(25)23-12-10-22(11-13-23)9-8-17(24)21-19(26)20-2/h3-7,15H,8-14H2,1-2H3,(H2,20,21,24,26).
What are the key properties of N-(methylcarbamoyl)-3-[4-(3-phenylbutanoyl)piperazin-1-yl]propanamide?
N-(methylcarbamoyl)-3-[4-(3-phenylbutanoyl)piperazin-1-yl]propanamide has a molecular weight of 360.46 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-3-[4-(3-phenylbutanoyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 47532172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).