(2S)-N-(cyclopentylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide

C19H28N4O2 — CID 9250310

IUPAC(2S)-N-(cyclopentylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide
SMILESC[C@@H](C(=O)NC(=O)NC1CCCC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H28N4O2/c1-15(18(24)21-19(25)20-16-7-5-6-8-16)22-11-13-23(14-12-22)17-9-3-2-4-10-17/h2-4,9-10,15-16H,5-8,11-14H2,1H3,(H2,20,21,24,25)/t15-/m0/s1
InChIKeyIXJSCLBOIIQLEC-HNNXBMFYSA-N
MW344.46 g/mol
LogP1.97
Rot. Bonds4

About (2S)-N-(cyclopentylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide

(2S)-N-(cyclopentylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide (PubChem CID 9250310) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (2S)-N-(cyclopentylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(cyclopentylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide
PubChem CID9250310
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name(2S)-N-(cyclopentylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide
SMILESC[C@@H](C(=O)NC(=O)NC1CCCC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H28N4O2/c1-15(18(24)21-19(25)20-16-7-5-6-8-16)22-11-13-23(14-12-22)17-9-3-2-4-10-17/h2-4,9-10,15-16H,5-8,11-14H2,1H3,(H2,20,21,24,25)/t15-/m0/s1
InChIKeyIXJSCLBOIIQLEC-HNNXBMFYSA-N
XLogP1.97
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopentylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 18093958
N-(cyclohexylcarbamoyl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propanamide
CID 87019512
(2S)-N-(cyclopentylcarbamoyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 9459953
(2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide
CID 8704500
N-(cyclopentylcarbamoyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 17447432
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(cyclopropylcarbamoyl)propanamide
CID 25347067
(2R)-N-(cyclopentylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 9249455
N-(cyclohexylcarbamoyl)-2-(4-phenylpiperidin-1-yl)propanamide
CID 55544187
(2S)-N-(cyclohexylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 8686992
(2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide
CID 8743246
N-(cyclopropylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 55472130
N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 52902639

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(cyclopentylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide?
The IUPAC name of (2S)-N-(cyclopentylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide (CID 9250310) is (2S)-N-(cyclopentylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide.
What is the SMILES notation for (2S)-N-(cyclopentylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide?
The canonical SMILES for (2S)-N-(cyclopentylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide is C[C@@H](C(=O)NC(=O)NC1CCCC1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (2S)-N-(cyclopentylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide?
The InChIKey is IXJSCLBOIIQLEC-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-15(18(24)21-19(25)20-16-7-5-6-8-16)22-11-13-23(14-12-22)17-9-3-2-4-10-17/h2-4,9-10,15-16H,5-8,11-14H2,1H3,(H2,20,21,24,25)/t15-/m0/s1.
What are the key properties of (2S)-N-(cyclopentylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide?
(2S)-N-(cyclopentylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide has a molecular weight of 344.46 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(cyclopentylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide is sourced from PubChem (CID 9250310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).