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

C16H31N3O — CID 79649924

IUPAC3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
SMILESCC1CC(C)CN(C2CCC(NC(C)C)(C(N)=O)C2)C1
InChIInChI=1S/C16H31N3O/c1-11(2)18-16(15(17)20)6-5-14(8-16)19-9-12(3)7-13(4)10-19/h11-14,18H,5-10H2,1-4H3,(H2,17,20)
InChIKeyHMFOIPXJHVNWJX-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.74
Rot. Bonds4

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

3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide (PubChem CID 79649924) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
PubChem CID79649924
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
SMILESCC1CC(C)CN(C2CCC(NC(C)C)(C(N)=O)C2)C1
InChIInChI=1S/C16H31N3O/c1-11(2)18-16(15(17)20)6-5-14(8-16)19-9-12(3)7-13(4)10-19/h11-14,18H,5-10H2,1-4H3,(H2,17,20)
InChIKeyHMFOIPXJHVNWJX-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(propan-2-ylamino)-3-(2,2,6-trimethylmorpholin-4-yl)cyclopentane-1-carboxamide
CID 79647708
3-(3,5-dimethylpiperidin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79650405
3-(4,5-dimethylimidazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79649025
3-(2,6-dimethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79649630
1-(cyclopropylamino)-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 79649455
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 115561603
[3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656843
3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 79637102
3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639233
3-[methyl-(3-methylcyclohexyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79646644
3-(4-chloropyrazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79651397
3-(4-cyclopropylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79647686

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
The IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide (CID 79649924) is 3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide is CC1CC(C)CN(C2CCC(NC(C)C)(C(N)=O)C2)C1.
What is the InChIKey of 3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
The InChIKey is HMFOIPXJHVNWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-11(2)18-16(15(17)20)6-5-14(8-16)19-9-12(3)7-13(4)10-19/h11-14,18H,5-10H2,1-4H3,(H2,17,20).
What are the key properties of 3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 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-carboxamide is sourced from PubChem (CID 79649924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).