3-(4-cyclopentylpiperazin-1-yl)-N-phenylpropanamide

C18H27N3O — CID 86928095

IUPAC3-(4-cyclopentylpiperazin-1-yl)-N-phenylpropanamide
SMILESO=C(CCN1CCN(C2CCCC2)CC1)Nc1ccccc1
InChIInChI=1S/C18H27N3O/c22-18(19-16-6-2-1-3-7-16)10-11-20-12-14-21(15-13-20)17-8-4-5-9-17/h1-3,6-7,17H,4-5,8-15H2,(H,19,22)
InChIKeyMYXKENKKUSKPEW-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.58
Rot. Bonds5

About 3-(4-cyclopentylpiperazin-1-yl)-N-phenylpropanamide

3-(4-cyclopentylpiperazin-1-yl)-N-phenylpropanamide (PubChem CID 86928095) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 3-(4-cyclopentylpiperazin-1-yl)-N-phenylpropanamide.

Molecular Properties

Compound Name3-(4-cyclopentylpiperazin-1-yl)-N-phenylpropanamide
PubChem CID86928095
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name3-(4-cyclopentylpiperazin-1-yl)-N-phenylpropanamide
SMILESO=C(CCN1CCN(C2CCCC2)CC1)Nc1ccccc1
InChIInChI=1S/C18H27N3O/c22-18(19-16-6-2-1-3-7-16)10-11-20-12-14-21(15-13-20)17-8-4-5-9-17/h1-3,6-7,17H,4-5,8-15H2,(H,19,22)
InChIKeyMYXKENKKUSKPEW-UHFFFAOYSA-N
XLogP2.58
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-phenylpropanamide
CID 47060175
3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 719539
3-(4-cyclohexylpiperazin-1-yl)-1-phenylpropan-1-one
CID 166604154
N-(2-aminophenyl)-3-(4-cyclopropylpiperazin-1-yl)propanamide
CID 61439799
3-[(3S)-3-methylpiperidin-1-yl]-N-phenylpropanamide
CID 739976
3-(3-hydroxyazetidin-1-yl)-N-phenylpropanamide
CID 63282500
N-(4-bromophenyl)-3-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]propanamide
CID 112840363
3-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]propanoic acid
CID 43397416
3-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-(4-phenylphenyl)propanamide
CID 15312802
4-[3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoylamino]benzamide
CID 95775396
3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-phenylpropanamide
CID 81491276
tert-butyl 4-(3-anilino-3-oxopropyl)piperazine-1-carboxylate
CID 52579913

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopentylpiperazin-1-yl)-N-phenylpropanamide?
The IUPAC name of 3-(4-cyclopentylpiperazin-1-yl)-N-phenylpropanamide (CID 86928095) is 3-(4-cyclopentylpiperazin-1-yl)-N-phenylpropanamide.
What is the SMILES notation for 3-(4-cyclopentylpiperazin-1-yl)-N-phenylpropanamide?
The canonical SMILES for 3-(4-cyclopentylpiperazin-1-yl)-N-phenylpropanamide is O=C(CCN1CCN(C2CCCC2)CC1)Nc1ccccc1.
What is the InChIKey of 3-(4-cyclopentylpiperazin-1-yl)-N-phenylpropanamide?
The InChIKey is MYXKENKKUSKPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c22-18(19-16-6-2-1-3-7-16)10-11-20-12-14-21(15-13-20)17-8-4-5-9-17/h1-3,6-7,17H,4-5,8-15H2,(H,19,22).
What are the key properties of 3-(4-cyclopentylpiperazin-1-yl)-N-phenylpropanamide?
3-(4-cyclopentylpiperazin-1-yl)-N-phenylpropanamide has a molecular weight of 301.43 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopentylpiperazin-1-yl)-N-phenylpropanamide is sourced from PubChem (CID 86928095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).