2-(3-cyano-3-methylpiperidin-1-yl)acetamide

C9H15N3O — CID 130666840

IUPAC2-(3-cyano-3-methylpiperidin-1-yl)acetamide
SMILESCC1(C#N)CCCN(CC(N)=O)C1
InChIInChI=1S/C9H15N3O/c1-9(6-10)3-2-4-12(7-9)5-8(11)13/h2-5,7H2,1H3,(H2,11,13)
InChIKeyQNSMATZPEHWMSE-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.10
Rot. Bonds2

About 2-(3-cyano-3-methylpiperidin-1-yl)acetamide

2-(3-cyano-3-methylpiperidin-1-yl)acetamide (PubChem CID 130666840) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-(3-cyano-3-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-3-methylpiperidin-1-yl)acetamide
PubChem CID130666840
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-(3-cyano-3-methylpiperidin-1-yl)acetamide
SMILESCC1(C#N)CCCN(CC(N)=O)C1
InChIInChI=1S/C9H15N3O/c1-9(6-10)3-2-4-12(7-9)5-8(11)13/h2-5,7H2,1H3,(H2,11,13)
InChIKeyQNSMATZPEHWMSE-UHFFFAOYSA-N
XLogP0.10
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-3-carbonitrile
CID 131945394
2-(2,2-dimethyl-1,4-oxazepan-4-yl)acetamide
CID 130684724
3-[(3-cyano-3-methylpiperidin-1-yl)methyl]benzoic acid
CID 131906181
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 130562485
2-amino-3-(3-cyano-3-methylpyrrolidin-1-yl)propanoic acid
CID 164653376
2-(azetidin-1-yl)acetamide
CID 18923030
3-(3-cyano-3-methylpyrrolidin-1-yl)-2-methylpropanoic acid
CID 164653373
2-(2,8-diazaspiro[5.5]undecan-2-yl)acetamide
CID 102850141
4-cyano-4-methylpiperidine-1-carboxamide
CID 103975376
N-(1-cyanocyclopentyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 115874111
1-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-3-carbonitrile
CID 131903864
2-(7,7-dimethyl-1,4-thiazepan-4-yl)acetamide
CID 107271958

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-3-methylpiperidin-1-yl)acetamide?
The IUPAC name of 2-(3-cyano-3-methylpiperidin-1-yl)acetamide (CID 130666840) is 2-(3-cyano-3-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for 2-(3-cyano-3-methylpiperidin-1-yl)acetamide?
The canonical SMILES for 2-(3-cyano-3-methylpiperidin-1-yl)acetamide is CC1(C#N)CCCN(CC(N)=O)C1.
What is the InChIKey of 2-(3-cyano-3-methylpiperidin-1-yl)acetamide?
The InChIKey is QNSMATZPEHWMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9(6-10)3-2-4-12(7-9)5-8(11)13/h2-5,7H2,1H3,(H2,11,13).
What are the key properties of 2-(3-cyano-3-methylpiperidin-1-yl)acetamide?
2-(3-cyano-3-methylpiperidin-1-yl)acetamide has a molecular weight of 181.24 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-3-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 130666840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).