1-(cyclopropylamino)-3-(3,4-dimethylpiperazin-1-yl)cyclopentane-1-carbonitrile

C15H26N4 — CID 79638318

IUPAC1-(cyclopropylamino)-3-(3,4-dimethylpiperazin-1-yl)cyclopentane-1-carbonitrile
SMILESCC1CN(C2CCC(C#N)(NC3CC3)C2)CCN1C
InChIInChI=1S/C15H26N4/c1-12-10-19(8-7-18(12)2)14-5-6-15(9-14,11-16)17-13-3-4-13/h12-14,17H,3-10H2,1-2H3
InChIKeyNDNINEAZFHWGDH-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.19
Rot. Bonds3

About 1-(cyclopropylamino)-3-(3,4-dimethylpiperazin-1-yl)cyclopentane-1-carbonitrile

1-(cyclopropylamino)-3-(3,4-dimethylpiperazin-1-yl)cyclopentane-1-carbonitrile (PubChem CID 79638318) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(3,4-dimethylpiperazin-1-yl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(3,4-dimethylpiperazin-1-yl)cyclopentane-1-carbonitrile
PubChem CID79638318
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name1-(cyclopropylamino)-3-(3,4-dimethylpiperazin-1-yl)cyclopentane-1-carbonitrile
SMILESCC1CN(C2CCC(C#N)(NC3CC3)C2)CCN1C
InChIInChI=1S/C15H26N4/c1-12-10-19(8-7-18(12)2)14-5-6-15(9-14,11-16)17-13-3-4-13/h12-14,17H,3-10H2,1-2H3
InChIKeyNDNINEAZFHWGDH-UHFFFAOYSA-N
XLogP1.19
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylamino)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclopentane-1-carbonitrile
CID 104960154
1-(cyclopropylamino)-3-piperidin-1-ylcyclopentane-1-carbonitrile
CID 79639135
1-(cyclopropylamino)-3-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carbonitrile
CID 79639574
1-(cyclopropylamino)-3-(3,4-dimethoxypyrrolidin-1-yl)cyclopentane-1-carbonitrile
CID 103537863
1-(cyclopropylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentane-1-carbonitrile
CID 79639239
3-(3,4-dimethylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79625356
1-(cyclopropylamino)-3-(3-propoxypiperidin-1-yl)cyclopentane-1-carbonitrile
CID 79639825
1-(cyclopropylamino)-3-(3,3,4-trimethylpiperazin-1-yl)cyclohexane-1-carbonitrile
CID 79627045
1-(cyclopropylamino)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexane-1-carbonitrile
CID 79626679
1-(cyclopropylamino)-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carbonitrile
CID 79639358
4-(cyclopropylamino)-1-methylpiperidine-4-carbonitrile
CID 28702853
1-(cyclopropylamino)-3-(2,4-dimethylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 79625352

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(3,4-dimethylpiperazin-1-yl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(cyclopropylamino)-3-(3,4-dimethylpiperazin-1-yl)cyclopentane-1-carbonitrile (CID 79638318) is 1-(cyclopropylamino)-3-(3,4-dimethylpiperazin-1-yl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylamino)-3-(3,4-dimethylpiperazin-1-yl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylamino)-3-(3,4-dimethylpiperazin-1-yl)cyclopentane-1-carbonitrile is CC1CN(C2CCC(C#N)(NC3CC3)C2)CCN1C.
What is the InChIKey of 1-(cyclopropylamino)-3-(3,4-dimethylpiperazin-1-yl)cyclopentane-1-carbonitrile?
The InChIKey is NDNINEAZFHWGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-12-10-19(8-7-18(12)2)14-5-6-15(9-14,11-16)17-13-3-4-13/h12-14,17H,3-10H2,1-2H3.
What are the key properties of 1-(cyclopropylamino)-3-(3,4-dimethylpiperazin-1-yl)cyclopentane-1-carbonitrile?
1-(cyclopropylamino)-3-(3,4-dimethylpiperazin-1-yl)cyclopentane-1-carbonitrile has a molecular weight of 262.40 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(3,4-dimethylpiperazin-1-yl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79638318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).