2-[4-(3-methoxyphenyl)piperazin-1-yl]cyclopentane-1-carbonitrile

C17H23N3O — CID 43291800

IUPAC2-[4-(3-methoxyphenyl)piperazin-1-yl]cyclopentane-1-carbonitrile
SMILESCOc1cccc(N2CCN(C3CCCC3C#N)CC2)c1
InChIInChI=1S/C17H23N3O/c1-21-16-6-3-5-15(12-16)19-8-10-20(11-9-19)17-7-2-4-14(17)13-18/h3,5-6,12,14,17H,2,4,7-11H2,1H3
InChIKeyONWJLXYDQVALKO-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.51
Rot. Bonds3

About 2-[4-(3-methoxyphenyl)piperazin-1-yl]cyclopentane-1-carbonitrile

2-[4-(3-methoxyphenyl)piperazin-1-yl]cyclopentane-1-carbonitrile (PubChem CID 43291800) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[4-(3-methoxyphenyl)piperazin-1-yl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[4-(3-methoxyphenyl)piperazin-1-yl]cyclopentane-1-carbonitrile
PubChem CID43291800
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-[4-(3-methoxyphenyl)piperazin-1-yl]cyclopentane-1-carbonitrile
SMILESCOc1cccc(N2CCN(C3CCCC3C#N)CC2)c1
InChIInChI=1S/C17H23N3O/c1-21-16-6-3-5-15(12-16)19-8-10-20(11-9-19)17-7-2-4-14(17)13-18/h3,5-6,12,14,17H,2,4,7-11H2,1H3
InChIKeyONWJLXYDQVALKO-UHFFFAOYSA-N
XLogP2.51
TPSA39.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)azepane
CID 57276431
1-(3-methoxyphenyl)-4-(6-methylpiperidin-3-yl)piperazine
CID 63158157
1-[1-(3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine
CID 123493648
1-iodo-4-(3-methoxyphenyl)piperazine
CID 142256394
(2R,3R)-5-amino-3-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol
CID 139061206
4-cyclobutyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine
CID 155941962
2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 28792674
5-chloro-2-[4-(3-methoxyphenyl)piperazin-1-yl]benzonitrile
CID 133282150
3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 163352079
1-[(1R,2S)-2-cyanocyclohexyl]-3-[4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylanilino]pyrazole-4-carboxamide
CID 90369470
4-(3-methoxyphenyl)piperazine-1-carbaldehyde
CID 22945750
1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-diol
CID 141019589

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]cyclopentane-1-carbonitrile (CID 43291800) is 2-[4-(3-methoxyphenyl)piperazin-1-yl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[4-(3-methoxyphenyl)piperazin-1-yl]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[4-(3-methoxyphenyl)piperazin-1-yl]cyclopentane-1-carbonitrile is COc1cccc(N2CCN(C3CCCC3C#N)CC2)c1.
What is the InChIKey of 2-[4-(3-methoxyphenyl)piperazin-1-yl]cyclopentane-1-carbonitrile?
The InChIKey is ONWJLXYDQVALKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-21-16-6-3-5-15(12-16)19-8-10-20(11-9-19)17-7-2-4-14(17)13-18/h3,5-6,12,14,17H,2,4,7-11H2,1H3.
What are the key properties of 2-[4-(3-methoxyphenyl)piperazin-1-yl]cyclopentane-1-carbonitrile?
2-[4-(3-methoxyphenyl)piperazin-1-yl]cyclopentane-1-carbonitrile has a molecular weight of 285.39 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxyphenyl)piperazin-1-yl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 43291800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).