1-cyano-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]cyclopentane-1-carboxamide

C16H27N3O — CID 47418559

IUPAC1-cyano-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]cyclopentane-1-carboxamide
SMILESCC1CCCN(CC(C)NC(=O)C2(C#N)CCCC2)C1
InChIInChI=1S/C16H27N3O/c1-13-6-5-9-19(10-13)11-14(2)18-15(20)16(12-17)7-3-4-8-16/h13-14H,3-11H2,1-2H3,(H,18,20)
InChIKeyIJFOSTPUBZPMNN-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.31
Rot. Bonds4

About 1-cyano-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]cyclopentane-1-carboxamide

1-cyano-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]cyclopentane-1-carboxamide (PubChem CID 47418559) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-cyano-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]cyclopentane-1-carboxamide
PubChem CID47418559
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-cyano-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]cyclopentane-1-carboxamide
SMILESCC1CCCN(CC(C)NC(=O)C2(C#N)CCCC2)C1
InChIInChI=1S/C16H27N3O/c1-13-6-5-9-19(10-13)11-14(2)18-15(20)16(12-17)7-3-4-8-16/h13-14H,3-11H2,1-2H3,(H,18,20)
InChIKeyIJFOSTPUBZPMNN-UHFFFAOYSA-N
XLogP2.31
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-pentan-2-ylcyclopentane-1-carboxamide
CID 55025382
3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 60577941
N-butan-2-yl-1-cyanocyclobutane-1-carboxamide
CID 78994718
2-amino-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]acetamide
CID 119863261
2-methyl-3-(methylamino)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]propanamide;dihydrochloride
CID 119863256
1-cyano-N-[(2S)-1-hydroxypropan-2-yl]cyclohexane-1-carboxamide
CID 103820750
1,1-diethyl-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea
CID 60577973
4-amino-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pentanamide;dihydrochloride
CID 120564985
2-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 60577595
N-(1-cyanocyclopentyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8903348
1-cyano-N-[1-(dimethylamino)propan-2-yl]cycloheptane-1-carboxamide
CID 82938688
1-(4-hydroxycyclohexyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea
CID 110903659

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]cyclopentane-1-carboxamide (CID 47418559) is 1-cyano-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]cyclopentane-1-carboxamide is CC1CCCN(CC(C)NC(=O)C2(C#N)CCCC2)C1.
What is the InChIKey of 1-cyano-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]cyclopentane-1-carboxamide?
The InChIKey is IJFOSTPUBZPMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13-6-5-9-19(10-13)11-14(2)18-15(20)16(12-17)7-3-4-8-16/h13-14H,3-11H2,1-2H3,(H,18,20).
What are the key properties of 1-cyano-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]cyclopentane-1-carboxamide?
1-cyano-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]cyclopentane-1-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 47418559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).