(2S)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide

C20H33N3O2 — CID 93210191

IUPAC(2S)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide
SMILESC=CCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C20H33N3O2/c1-2-11-21-19(24)18(16-7-3-4-8-16)22-12-14-23(15-13-22)20(25)17-9-5-6-10-17/h2,16-18H,1,3-15H2,(H,21,24)/t18-/m0/s1
InChIKeyJJJFMHRFLFKFMC-SFHVURJKSA-N
MW347.50 g/mol
LogP2.18
Rot. Bonds6

About (2S)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide

(2S)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide (PubChem CID 93210191) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is (2S)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide.

Molecular Properties

Compound Name(2S)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide
PubChem CID93210191
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name(2S)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide
SMILESC=CCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C20H33N3O2/c1-2-11-21-19(24)18(16-7-3-4-8-16)22-12-14-23(15-13-22)20(25)17-9-5-6-10-17/h2,16-18H,1,3-15H2,(H,21,24)/t18-/m0/s1
InChIKeyJJJFMHRFLFKFMC-SFHVURJKSA-N
XLogP2.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide
CID 24716536
2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-[2-(dimethylamino)ethyl]acetamide
CID 24719226
2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 24719963
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide
CID 46024550
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-methylacetamide
CID 24719259
2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 24719909
4-(1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide
CID 46027291
(2R)-2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[(2S)-2-methylbutyl]acetamide
CID 93209950
4-[2-(4-acetylpiperazin-1-yl)-1-cyclopentyl-2-oxoethyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 46027309
2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide
CID 46024558
4-[1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 46027240
4-[(1S)-1-cyclopentyl-2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 93221335

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide?
The IUPAC name of (2S)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide (CID 93210191) is (2S)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide.
What is the SMILES notation for (2S)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide?
The canonical SMILES for (2S)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide is C=CCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of (2S)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide?
The InChIKey is JJJFMHRFLFKFMC-SFHVURJKSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-2-11-21-19(24)18(16-7-3-4-8-16)22-12-14-23(15-13-22)20(25)17-9-5-6-10-17/h2,16-18H,1,3-15H2,(H,21,24)/t18-/m0/s1.
What are the key properties of (2S)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide?
(2S)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide has a molecular weight of 347.50 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide is sourced from PubChem (CID 93210191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).