3-cyclopentyl-N-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]propanamide;hydrochloride

C18H33ClN4O2 — CID 120995316

IUPAC3-cyclopentyl-N-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]propanamide;hydrochloride
SMILESCl.O=C(CCC1CCCC1)NCC(=O)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C18H32N4O2.ClH/c23-17(6-5-15-3-1-2-4-15)20-13-18(24)22-10-7-16(14-22)21-11-8-19-9-12-21;/h15-16,19H,1-14H2,(H,20,23);1H
InChIKeyYNSFMEFYPBPNIH-UHFFFAOYSA-N
MW372.94 g/mol
LogP1.00
Rot. Bonds6

About 3-cyclopentyl-N-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]propanamide;hydrochloride

3-cyclopentyl-N-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]propanamide;hydrochloride (PubChem CID 120995316) has the molecular formula C18H33ClN4O2 and a molecular weight of 372.94 g/mol. Its IUPAC name is 3-cyclopentyl-N-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-cyclopentyl-N-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]propanamide;hydrochloride
PubChem CID120995316
Molecular FormulaC18H33ClN4O2
Molecular Weight372.94 g/mol
Exact Mass372.23
IUPAC Name3-cyclopentyl-N-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]propanamide;hydrochloride
SMILESCl.O=C(CCC1CCCC1)NCC(=O)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C18H32N4O2.ClH/c23-17(6-5-15-3-1-2-4-15)20-13-18(24)22-10-7-16(14-22)21-11-8-19-9-12-21;/h15-16,19H,1-14H2,(H,20,23);1H
InChIKeyYNSFMEFYPBPNIH-UHFFFAOYSA-N
XLogP1.00
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.94
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclobutyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one
CID 120996967
2-cycloheptyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120997204
3-cyclopentyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]propanamide;hydrochloride
CID 119488758
2-cyclopropyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120997503
1-(3-morpholin-4-ylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one
CID 63172005
3-cyclopentyl-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]propanamide;hydrochloride
CID 119622386
3-methyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one;hydrochloride
CID 120995440
2-cycloheptyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide
CID 115736845
4-[2-(3-cyclopentylpropanoylamino)acetyl]morpholine-2-carboxylic acid
CID 119239938
2-[[2-[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]acetyl]amino]acetic acid;hydrochloride
CID 22611771
1-(3-piperazin-1-ylpyrrolidin-1-yl)pent-4-en-1-one
CID 112739428
2-(oxan-2-yl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120994581

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]propanamide;hydrochloride?
The IUPAC name of 3-cyclopentyl-N-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]propanamide;hydrochloride (CID 120995316) is 3-cyclopentyl-N-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]propanamide;hydrochloride.
What is the SMILES notation for 3-cyclopentyl-N-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]propanamide;hydrochloride?
The canonical SMILES for 3-cyclopentyl-N-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]propanamide;hydrochloride is Cl.O=C(CCC1CCCC1)NCC(=O)N1CCC(N2CCNCC2)C1.
What is the InChIKey of 3-cyclopentyl-N-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]propanamide;hydrochloride?
The InChIKey is YNSFMEFYPBPNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2.ClH/c23-17(6-5-15-3-1-2-4-15)20-13-18(24)22-10-7-16(14-22)21-11-8-19-9-12-21;/h15-16,19H,1-14H2,(H,20,23);1H.
What are the key properties of 3-cyclopentyl-N-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]propanamide;hydrochloride?
3-cyclopentyl-N-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]propanamide;hydrochloride has a molecular weight of 372.94 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 120995316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).