1-[2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexane-1-carbonitrile

C19H32N4O — CID 154797698

IUPAC1-[2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexane-1-carbonitrile
SMILESCCN1CCN(C2CCN(C(=O)CC3(C#N)CCCCC3)C2)CC1
InChIInChI=1S/C19H32N4O/c1-2-21-10-12-22(13-11-21)17-6-9-23(15-17)18(24)14-19(16-20)7-4-3-5-8-19/h17H,2-15H2,1H3
InChIKeyMXWRNHHPSMCUMI-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.09
Rot. Bonds4

About 1-[2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexane-1-carbonitrile

1-[2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexane-1-carbonitrile (PubChem CID 154797698) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-[2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexane-1-carbonitrile
PubChem CID154797698
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name1-[2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexane-1-carbonitrile
SMILESCCN1CCN(C2CCN(C(=O)CC3(C#N)CCCCC3)C2)CC1
InChIInChI=1S/C19H32N4O/c1-2-21-10-12-22(13-11-21)17-6-9-23(15-17)18(24)14-19(16-20)7-4-3-5-8-19/h17H,2-15H2,1H3
InChIKeyMXWRNHHPSMCUMI-UHFFFAOYSA-N
XLogP2.09
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminocyclohexyl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 64678060
2-[1-[2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
CID 86897087
1-[2-oxo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylic acid
CID 63168585
1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-[1-(sulfanylmethyl)cyclopropyl]ethanone
CID 107029391
1-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]cyclohexane-1-carbonitrile
CID 146107630
1-[3-(azepan-1-yl)piperidin-1-yl]-2-(1-hydroxycyclopentyl)ethanone
CID 111538197
2-(ethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63167256
1-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 86896760
(4-tert-butylphenyl)-[(3S)-3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]methanone
CID 95309072
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-(1-methoxycyclobutyl)ethanone
CID 103557359
2-(1-aminocyclobutyl)-1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone
CID 79854172
1-(3-morpholin-4-ylpyrrolidine-1-carbonyl)cyclopentane-1-carbonitrile
CID 63516166

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexane-1-carbonitrile?
The IUPAC name of 1-[2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexane-1-carbonitrile (CID 154797698) is 1-[2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-[2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexane-1-carbonitrile is CCN1CCN(C2CCN(C(=O)CC3(C#N)CCCCC3)C2)CC1.
What is the InChIKey of 1-[2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexane-1-carbonitrile?
The InChIKey is MXWRNHHPSMCUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-2-21-10-12-22(13-11-21)17-6-9-23(15-17)18(24)14-19(16-20)7-4-3-5-8-19/h17H,2-15H2,1H3.
What are the key properties of 1-[2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexane-1-carbonitrile?
1-[2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexane-1-carbonitrile has a molecular weight of 332.49 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 154797698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).