(3S)-5-(4-cyanopiperidin-1-yl)-3-methyl-5-oxopentanamide

C12H19N3O2 — CID 71236530

IUPAC(3S)-5-(4-cyanopiperidin-1-yl)-3-methyl-5-oxopentanamide
SMILESC[C@@H](CC(N)=O)CC(=O)N1CCC(C#N)CC1
InChIInChI=1S/C12H19N3O2/c1-9(6-11(14)16)7-12(17)15-4-2-10(8-13)3-5-15/h9-10H,2-7H2,1H3,(H2,14,16)/t9-/m0/s1
InChIKeyCPHFUGCUZQOUTO-VIFPVBQESA-N
MW237.30 g/mol
LogP0.65
Rot. Bonds4

About (3S)-5-(4-cyanopiperidin-1-yl)-3-methyl-5-oxopentanamide

(3S)-5-(4-cyanopiperidin-1-yl)-3-methyl-5-oxopentanamide (PubChem CID 71236530) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is (3S)-5-(4-cyanopiperidin-1-yl)-3-methyl-5-oxopentanamide.

Molecular Properties

Compound Name(3S)-5-(4-cyanopiperidin-1-yl)-3-methyl-5-oxopentanamide
PubChem CID71236530
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name(3S)-5-(4-cyanopiperidin-1-yl)-3-methyl-5-oxopentanamide
SMILESC[C@@H](CC(N)=O)CC(=O)N1CCC(C#N)CC1
InChIInChI=1S/C12H19N3O2/c1-9(6-11(14)16)7-12(17)15-4-2-10(8-13)3-5-15/h9-10H,2-7H2,1H3,(H2,14,16)/t9-/m0/s1
InChIKeyCPHFUGCUZQOUTO-VIFPVBQESA-N
XLogP0.65
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-5-(3-cyanoazetidin-1-yl)-3-methyl-5-oxopentanamide
CID 71236251
1-butanoylpiperidine-4-carbonitrile
CID 39237347
1-(3-methylpentanoyl)piperidine-3-carbonitrile
CID 114874755
1-[(2R)-2-chloropropanoyl]piperidine-4-carbonitrile
CID 129322323
1-hexanoylpiperidine-4-carbonitrile
CID 49062755
(3S,4R)-3-hydroxy-6-(4-hydroxypiperidin-1-yl)-4-methyl-6-oxohexanamide
CID 90230566
1-decanoylpiperidine-4-carbonitrile
CID 49062541
1-(3-methylbutanoyl)azetidine-3-carbonitrile
CID 118034293
4-amino-3-methyl-1-(4-propan-2-ylazepan-1-yl)butan-1-one
CID 81079619
4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 81070855
1-[4-(aminomethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 28706724
4-cyano-N-(3-methylbutyl)piperidine-1-carboxamide
CID 110312656

Frequently Asked Questions

What is the IUPAC name of (3S)-5-(4-cyanopiperidin-1-yl)-3-methyl-5-oxopentanamide?
The IUPAC name of (3S)-5-(4-cyanopiperidin-1-yl)-3-methyl-5-oxopentanamide (CID 71236530) is (3S)-5-(4-cyanopiperidin-1-yl)-3-methyl-5-oxopentanamide.
What is the SMILES notation for (3S)-5-(4-cyanopiperidin-1-yl)-3-methyl-5-oxopentanamide?
The canonical SMILES for (3S)-5-(4-cyanopiperidin-1-yl)-3-methyl-5-oxopentanamide is C[C@@H](CC(N)=O)CC(=O)N1CCC(C#N)CC1.
What is the InChIKey of (3S)-5-(4-cyanopiperidin-1-yl)-3-methyl-5-oxopentanamide?
The InChIKey is CPHFUGCUZQOUTO-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(6-11(14)16)7-12(17)15-4-2-10(8-13)3-5-15/h9-10H,2-7H2,1H3,(H2,14,16)/t9-/m0/s1.
What are the key properties of (3S)-5-(4-cyanopiperidin-1-yl)-3-methyl-5-oxopentanamide?
(3S)-5-(4-cyanopiperidin-1-yl)-3-methyl-5-oxopentanamide has a molecular weight of 237.30 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-(4-cyanopiperidin-1-yl)-3-methyl-5-oxopentanamide is sourced from PubChem (CID 71236530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).