1-(methylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carbonitrile

C15H27N3 — CID 79639682

IUPAC1-(methylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carbonitrile
SMILESCCCC1CCN(C2CCC(C#N)(NC)C2)CC1
InChIInChI=1S/C15H27N3/c1-3-4-13-6-9-18(10-7-13)14-5-8-15(11-14,12-16)17-2/h13-14,17H,3-11H2,1-2H3
InChIKeyNEMKGZAARUHFOE-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.53
Rot. Bonds4

About 1-(methylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carbonitrile

1-(methylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carbonitrile (PubChem CID 79639682) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(methylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(methylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carbonitrile
PubChem CID79639682
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-(methylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carbonitrile
SMILESCCCC1CCN(C2CCC(C#N)(NC)C2)CC1
InChIInChI=1S/C15H27N3/c1-3-4-13-6-9-18(10-7-13)14-5-8-15(11-14,12-16)17-2/h13-14,17H,3-11H2,1-2H3
InChIKeyNEMKGZAARUHFOE-UHFFFAOYSA-N
XLogP2.53
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carbonitrile
CID 79639775
1-(ethylamino)-3-(4-ethylazepan-1-yl)cyclopentane-1-carbonitrile
CID 79638583
3-[4-(methoxymethyl)piperidin-1-yl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639786
1-(methylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentane-1-carbonitrile
CID 79639086
1-(propan-2-ylamino)-3-(4-propan-2-ylazepan-1-yl)cyclopentane-1-carbonitrile
CID 79638672
1-(methylamino)-3-(4-methylsulfonylpiperazin-1-yl)cyclohexane-1-carbonitrile
CID 79625510
4-ethyl-1-(methylamino)cyclohexane-1-carbonitrile
CID 43115038
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79639170
1-butyl-4-(4-pentylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 18596773
3-(4,4-dimethylazepan-1-yl)-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79639514
3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(methylamino)cyclohexane-1-carbonitrile
CID 79625138
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 102727930

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(methylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carbonitrile (CID 79639682) is 1-(methylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(methylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(methylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carbonitrile is CCCC1CCN(C2CCC(C#N)(NC)C2)CC1.
What is the InChIKey of 1-(methylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carbonitrile?
The InChIKey is NEMKGZAARUHFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-3-4-13-6-9-18(10-7-13)14-5-8-15(11-14,12-16)17-2/h13-14,17H,3-11H2,1-2H3.
What are the key properties of 1-(methylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carbonitrile?
1-(methylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carbonitrile has a molecular weight of 249.40 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79639682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).