1-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carbonitrile

C17H31N3 — CID 79639775

IUPAC1-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carbonitrile
SMILESCCCC1CCN(C2CCC(C#N)(NC(C)C)C2)CC1
InChIInChI=1S/C17H31N3/c1-4-5-15-7-10-20(11-8-15)16-6-9-17(12-16,13-18)19-14(2)3/h14-16,19H,4-12H2,1-3H3
InChIKeyPDHJTWWPIZPZEM-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.31
Rot. Bonds5

About 1-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carbonitrile

1-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carbonitrile (PubChem CID 79639775) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 1-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carbonitrile
PubChem CID79639775
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name1-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carbonitrile
SMILESCCCC1CCN(C2CCC(C#N)(NC(C)C)C2)CC1
InChIInChI=1S/C17H31N3/c1-4-5-15-7-10-20(11-8-15)16-6-9-17(12-16,13-18)19-14(2)3/h14-16,19H,4-12H2,1-3H3
InChIKeyPDHJTWWPIZPZEM-UHFFFAOYSA-N
XLogP3.31
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(methylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carbonitrile
CID 79639682
3-[4-(methoxymethyl)piperidin-1-yl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639786
1-(propan-2-ylamino)-3-(4-propan-2-ylazepan-1-yl)cyclopentane-1-carbonitrile
CID 79638672
3-[3-(diethylamino)pyrrolidin-1-yl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79638520
3-(4-ethylpiperazin-1-yl)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79626005
1-(ethylamino)-3-(4-ethylazepan-1-yl)cyclopentane-1-carbonitrile
CID 79638583
3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639233
3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639998
3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79625049
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639789
3-(4-butan-2-ylpiperazin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639447
3-(4-ethyl-3-methylpiperazin-1-yl)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79626551

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carbonitrile (CID 79639775) is 1-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carbonitrile is CCCC1CCN(C2CCC(C#N)(NC(C)C)C2)CC1.
What is the InChIKey of 1-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carbonitrile?
The InChIKey is PDHJTWWPIZPZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-4-5-15-7-10-20(11-8-15)16-6-9-17(12-16,13-18)19-14(2)3/h14-16,19H,4-12H2,1-3H3.
What are the key properties of 1-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carbonitrile?
1-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carbonitrile has a molecular weight of 277.46 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79639775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).