(2S)-2-(4-acetylpiperazin-1-yl)-N-[(1S)-1-phenylbutyl]propanamide

C19H29N3O2 — CID 9276310

IUPAC(2S)-2-(4-acetylpiperazin-1-yl)-N-[(1S)-1-phenylbutyl]propanamide
SMILESCCC[C@H](NC(=O)[C@H](C)N1CCN(C(C)=O)CC1)c1ccccc1
InChIInChI=1S/C19H29N3O2/c1-4-8-18(17-9-6-5-7-10-17)20-19(24)15(2)21-11-13-22(14-12-21)16(3)23/h5-7,9-10,15,18H,4,8,11-14H2,1-3H3,(H,20,24)/t15-,18-/m0/s1
InChIKeyGCSGDNGDYLCFAR-YJBOKZPZSA-N
MW331.46 g/mol
LogP2.20
Rot. Bonds6

About (2S)-2-(4-acetylpiperazin-1-yl)-N-[(1S)-1-phenylbutyl]propanamide

(2S)-2-(4-acetylpiperazin-1-yl)-N-[(1S)-1-phenylbutyl]propanamide (PubChem CID 9276310) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (2S)-2-(4-acetylpiperazin-1-yl)-N-[(1S)-1-phenylbutyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-acetylpiperazin-1-yl)-N-[(1S)-1-phenylbutyl]propanamide
PubChem CID9276310
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name(2S)-2-(4-acetylpiperazin-1-yl)-N-[(1S)-1-phenylbutyl]propanamide
SMILESCCC[C@H](NC(=O)[C@H](C)N1CCN(C(C)=O)CC1)c1ccccc1
InChIInChI=1S/C19H29N3O2/c1-4-8-18(17-9-6-5-7-10-17)20-19(24)15(2)21-11-13-22(14-12-21)16(3)23/h5-7,9-10,15,18H,4,8,11-14H2,1-3H3,(H,20,24)/t15-,18-/m0/s1
InChIKeyGCSGDNGDYLCFAR-YJBOKZPZSA-N
XLogP2.20
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(1-phenylbutyl)propanamide
CID 75744030
2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-(1-phenylbutyl)propanamide
CID 55682595
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(1R)-1-phenylbutyl]propanamide
CID 9346063
(2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[(1R)-1-phenylbutyl]propanamide
CID 9348715
(2R)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[(1R)-1-phenylbutyl]propanamide
CID 9348711
(2R)-2-chloro-N-[(1S)-1-phenylbutyl]propanamide
CID 2466708
1-[4-(1-phenylbutylamino)piperidin-1-yl]ethanone
CID 43224633
2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)propanamide
CID 78787136
(3aS,6aR)-2-[1-oxo-1-(1-phenylbutylamino)propan-2-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid;hydrochloride
CID 120680019
2-[ethyl(methyl)amino]-N-(1-phenylbutyl)propanamide
CID 60516767
(2R)-2-(4-benzhydrylpiperazin-1-yl)-N-propylpropanamide
CID 9275101
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(1-phenylethyl)propanamide
CID 75810047

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-acetylpiperazin-1-yl)-N-[(1S)-1-phenylbutyl]propanamide?
The IUPAC name of (2S)-2-(4-acetylpiperazin-1-yl)-N-[(1S)-1-phenylbutyl]propanamide (CID 9276310) is (2S)-2-(4-acetylpiperazin-1-yl)-N-[(1S)-1-phenylbutyl]propanamide.
What is the SMILES notation for (2S)-2-(4-acetylpiperazin-1-yl)-N-[(1S)-1-phenylbutyl]propanamide?
The canonical SMILES for (2S)-2-(4-acetylpiperazin-1-yl)-N-[(1S)-1-phenylbutyl]propanamide is CCC[C@H](NC(=O)[C@H](C)N1CCN(C(C)=O)CC1)c1ccccc1.
What is the InChIKey of (2S)-2-(4-acetylpiperazin-1-yl)-N-[(1S)-1-phenylbutyl]propanamide?
The InChIKey is GCSGDNGDYLCFAR-YJBOKZPZSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-4-8-18(17-9-6-5-7-10-17)20-19(24)15(2)21-11-13-22(14-12-21)16(3)23/h5-7,9-10,15,18H,4,8,11-14H2,1-3H3,(H,20,24)/t15-,18-/m0/s1.
What are the key properties of (2S)-2-(4-acetylpiperazin-1-yl)-N-[(1S)-1-phenylbutyl]propanamide?
(2S)-2-(4-acetylpiperazin-1-yl)-N-[(1S)-1-phenylbutyl]propanamide has a molecular weight of 331.46 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-acetylpiperazin-1-yl)-N-[(1S)-1-phenylbutyl]propanamide is sourced from PubChem (CID 9276310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).