(2S)-2-(4-cyclopentylpiperazin-1-yl)-N-prop-2-enylpropanamide

C15H27N3O — CID 94062189

IUPAC(2S)-2-(4-cyclopentylpiperazin-1-yl)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@H](C)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C15H27N3O/c1-3-8-16-15(19)13(2)17-9-11-18(12-10-17)14-6-4-5-7-14/h3,13-14H,1,4-12H2,2H3,(H,16,19)/t13-/m0/s1
InChIKeyXEAAPWNTSZADHL-ZDUSSCGKSA-N
MW265.40 g/mol
LogP1.24
Rot. Bonds5

About (2S)-2-(4-cyclopentylpiperazin-1-yl)-N-prop-2-enylpropanamide

(2S)-2-(4-cyclopentylpiperazin-1-yl)-N-prop-2-enylpropanamide (PubChem CID 94062189) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is (2S)-2-(4-cyclopentylpiperazin-1-yl)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name(2S)-2-(4-cyclopentylpiperazin-1-yl)-N-prop-2-enylpropanamide
PubChem CID94062189
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name(2S)-2-(4-cyclopentylpiperazin-1-yl)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@H](C)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C15H27N3O/c1-3-8-16-15(19)13(2)17-9-11-18(12-10-17)14-6-4-5-7-14/h3,13-14H,1,4-12H2,2H3,(H,16,19)/t13-/m0/s1
InChIKeyXEAAPWNTSZADHL-ZDUSSCGKSA-N
XLogP1.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.24
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

oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N-prop-2-enylpropanamide
CID 171668900
1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-4-carboxylic acid
CID 43385844
2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-prop-2-enylpropanamide
CID 56787482
N-prop-2-enyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide
CID 42896207
(2R)-2-(4-cyclohexylpiperazin-1-yl)-N,N-bis(prop-2-enyl)propanamide
CID 1439550
2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-prop-2-enylpropanamide
CID 63849477
2-(2-formylpiperidin-1-yl)-N-prop-2-enylpropanamide
CID 62655712
(2R)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-prop-2-enylpropanamide
CID 95309166
methyl 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxylate
CID 78920485
(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-prop-2-enylpropanamide
CID 94444756
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-prop-2-enylpropanamide
CID 63267346
2-(4-cyclohexylpiperazin-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 3824270

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-cyclopentylpiperazin-1-yl)-N-prop-2-enylpropanamide?
The IUPAC name of (2S)-2-(4-cyclopentylpiperazin-1-yl)-N-prop-2-enylpropanamide (CID 94062189) is (2S)-2-(4-cyclopentylpiperazin-1-yl)-N-prop-2-enylpropanamide.
What is the SMILES notation for (2S)-2-(4-cyclopentylpiperazin-1-yl)-N-prop-2-enylpropanamide?
The canonical SMILES for (2S)-2-(4-cyclopentylpiperazin-1-yl)-N-prop-2-enylpropanamide is C=CCNC(=O)[C@H](C)N1CCN(C2CCCC2)CC1.
What is the InChIKey of (2S)-2-(4-cyclopentylpiperazin-1-yl)-N-prop-2-enylpropanamide?
The InChIKey is XEAAPWNTSZADHL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-8-16-15(19)13(2)17-9-11-18(12-10-17)14-6-4-5-7-14/h3,13-14H,1,4-12H2,2H3,(H,16,19)/t13-/m0/s1.
What are the key properties of (2S)-2-(4-cyclopentylpiperazin-1-yl)-N-prop-2-enylpropanamide?
(2S)-2-(4-cyclopentylpiperazin-1-yl)-N-prop-2-enylpropanamide has a molecular weight of 265.40 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-cyclopentylpiperazin-1-yl)-N-prop-2-enylpropanamide is sourced from PubChem (CID 94062189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).