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

C14H23N3O — CID 47006731

IUPACN-(1-cyano-1-cyclopropylethyl)-2-(3-methylpiperidin-1-yl)acetamide
SMILESCC1CCCN(CC(=O)NC(C)(C#N)C2CC2)C1
InChIInChI=1S/C14H23N3O/c1-11-4-3-7-17(8-11)9-13(18)16-14(2,10-15)12-5-6-12/h11-12H,3-9H2,1-2H3,(H,16,18)
InChIKeyNRNMEMRVIBJUGY-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.53
Rot. Bonds4

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

N-(1-cyano-1-cyclopropylethyl)-2-(3-methylpiperidin-1-yl)acetamide (PubChem CID 47006731) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(1-cyano-1-cyclopropylethyl)-2-(3-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-cyano-1-cyclopropylethyl)-2-(3-methylpiperidin-1-yl)acetamide
PubChem CID47006731
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(1-cyano-1-cyclopropylethyl)-2-(3-methylpiperidin-1-yl)acetamide
SMILESCC1CCCN(CC(=O)NC(C)(C#N)C2CC2)C1
InChIInChI=1S/C14H23N3O/c1-11-4-3-7-17(8-11)9-13(18)16-14(2,10-15)12-5-6-12/h11-12H,3-9H2,1-2H3,(H,16,18)
InChIKeyNRNMEMRVIBJUGY-UHFFFAOYSA-N
XLogP1.53
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-1-cyclopropylethyl)-2-(3-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-(1-cyano-1-cyclopropylethyl)-2-(3-methylpiperidin-1-yl)acetamide (CID 47006731) is N-(1-cyano-1-cyclopropylethyl)-2-(3-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(1-cyano-1-cyclopropylethyl)-2-(3-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(1-cyano-1-cyclopropylethyl)-2-(3-methylpiperidin-1-yl)acetamide is CC1CCCN(CC(=O)NC(C)(C#N)C2CC2)C1.
What is the InChIKey of N-(1-cyano-1-cyclopropylethyl)-2-(3-methylpiperidin-1-yl)acetamide?
The InChIKey is NRNMEMRVIBJUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-4-3-7-17(8-11)9-13(18)16-14(2,10-15)12-5-6-12/h11-12H,3-9H2,1-2H3,(H,16,18).
What are the key properties of N-(1-cyano-1-cyclopropylethyl)-2-(3-methylpiperidin-1-yl)acetamide?
N-(1-cyano-1-cyclopropylethyl)-2-(3-methylpiperidin-1-yl)acetamide has a molecular weight of 249.36 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-1-cyclopropylethyl)-2-(3-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 47006731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).