4-cyano-4-methylpiperidine-1-carboxamide

C8H13N3O — CID 103975376

IUPAC4-cyano-4-methylpiperidine-1-carboxamide
SMILESCC1(C#N)CCN(C(N)=O)CC1
InChIInChI=1S/C8H13N3O/c1-8(6-9)2-4-11(5-3-8)7(10)12/h2-5H2,1H3,(H2,10,12)
InChIKeyIZCTXYNCFMEQIO-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.69
Rot. Bonds

About 4-cyano-4-methylpiperidine-1-carboxamide

4-cyano-4-methylpiperidine-1-carboxamide (PubChem CID 103975376) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-cyano-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-cyano-4-methylpiperidine-1-carboxamide
PubChem CID103975376
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name4-cyano-4-methylpiperidine-1-carboxamide
SMILESCC1(C#N)CCN(C(N)=O)CC1
InChIInChI=1S/C8H13N3O/c1-8(6-9)2-4-11(5-3-8)7(10)12/h2-5H2,1H3,(H2,10,12)
InChIKeyIZCTXYNCFMEQIO-UHFFFAOYSA-N
XLogP0.69
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 4-cyano-4-methylpiperidine-1-carboxylate
CID 46835621
4-methyl-1-octanoylpiperidine-4-carbonitrile
CID 113364826
1-[2-(2-methoxyethoxy)acetyl]-4-methylpiperidine-4-carbonitrile
CID 113368421
methyl 2-(4-cyano-4-methylpiperidin-1-yl)propanoate
CID 103994008
4-methyl-1-(4-propylthiadiazole-5-carbonyl)piperidine-4-carbonitrile
CID 107160763
N-(4-carbamoyl-2-methylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide
CID 119072401
4-hydroxy-4-propan-2-ylpiperidine-1-carboxamide
CID 118103374
1-[3-(2,2-difluoroethoxy)propanoyl]-4-methylpiperidine-4-carbonitrile
CID 103526870
4-methyl-1-(4-methylthiophene-3-carbonyl)piperidine-4-carbonitrile
CID 113364805
N-(4-acetylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide
CID 103993105
1-(4-hydroxybutyl)-4-methylpiperidine-4-carbonitrile
CID 103994156
ethane;1-methylcyclopropane-1-carbonitrile
CID 142227750

Frequently Asked Questions

What is the IUPAC name of 4-cyano-4-methylpiperidine-1-carboxamide?
The IUPAC name of 4-cyano-4-methylpiperidine-1-carboxamide (CID 103975376) is 4-cyano-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-cyano-4-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-cyano-4-methylpiperidine-1-carboxamide is CC1(C#N)CCN(C(N)=O)CC1.
What is the InChIKey of 4-cyano-4-methylpiperidine-1-carboxamide?
The InChIKey is IZCTXYNCFMEQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-8(6-9)2-4-11(5-3-8)7(10)12/h2-5H2,1H3,(H2,10,12).
What are the key properties of 4-cyano-4-methylpiperidine-1-carboxamide?
4-cyano-4-methylpiperidine-1-carboxamide has a molecular weight of 167.21 g/mol, XLogP of 0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 103975376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).