3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile

C16H29N3 — CID 79639233

IUPAC3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
SMILESCC1CC(C)CN(C2CCC(C#N)(NC(C)C)C2)C1
InChIInChI=1S/C16H29N3/c1-12(2)18-16(11-17)6-5-15(8-16)19-9-13(3)7-14(4)10-19/h12-15,18H,5-10H2,1-4H3
InChIKeyFIUDWXBWMZXBCJ-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.78
Rot. Bonds3

About 3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile

3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile (PubChem CID 79639233) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
PubChem CID79639233
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
SMILESCC1CC(C)CN(C2CCC(C#N)(NC(C)C)C2)C1
InChIInChI=1S/C16H29N3/c1-12(2)18-16(11-17)6-5-15(8-16)19-9-13(3)7-14(4)10-19/h12-15,18H,5-10H2,1-4H3
InChIKeyFIUDWXBWMZXBCJ-UHFFFAOYSA-N
XLogP2.78
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639998
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-methyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 43151562
[3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656843
1-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carbonitrile
CID 79639775
3-(4-ethyl-3-methylpiperazin-1-yl)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79626551
3-[4-(methoxymethyl)piperidin-1-yl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639786
3-(4-ethylpiperazin-1-yl)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79626005
1-(propan-2-ylamino)-3-pyrazol-1-ylcyclopentane-1-carbonitrile
CID 79638591
3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79649924
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639789

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile (CID 79639233) is 3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile is CC1CC(C)CN(C2CCC(C#N)(NC(C)C)C2)C1.
What is the InChIKey of 3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The InChIKey is FIUDWXBWMZXBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-12(2)18-16(11-17)6-5-15(8-16)19-9-13(3)7-14(4)10-19/h12-15,18H,5-10H2,1-4H3.
What are the key properties of 3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile has a molecular weight of 263.43 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79639233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).