N-(cyanomethyl)-4-methyl-N-propan-2-ylpiperidine-1-carboxamide

C12H21N3O — CID 79159255

IUPACN-(cyanomethyl)-4-methyl-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)N(CC#N)C(C)C)CC1
InChIInChI=1S/C12H21N3O/c1-10(2)15(9-6-13)12(16)14-7-4-11(3)5-8-14/h10-11H,4-5,7-9H2,1-3H3
InChIKeyGGLJQKFBTZAEMN-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.07
Rot. Bonds2

About N-(cyanomethyl)-4-methyl-N-propan-2-ylpiperidine-1-carboxamide

N-(cyanomethyl)-4-methyl-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 79159255) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(cyanomethyl)-4-methyl-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-4-methyl-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID79159255
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-(cyanomethyl)-4-methyl-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)N(CC#N)C(C)C)CC1
InChIInChI=1S/C12H21N3O/c1-10(2)15(9-6-13)12(16)14-7-4-11(3)5-8-14/h10-11H,4-5,7-9H2,1-3H3
InChIKeyGGLJQKFBTZAEMN-UHFFFAOYSA-N
XLogP2.07
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-4-methyl-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of N-(cyanomethyl)-4-methyl-N-propan-2-ylpiperidine-1-carboxamide (CID 79159255) is N-(cyanomethyl)-4-methyl-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-4-methyl-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for N-(cyanomethyl)-4-methyl-N-propan-2-ylpiperidine-1-carboxamide is CC1CCN(C(=O)N(CC#N)C(C)C)CC1.
What is the InChIKey of N-(cyanomethyl)-4-methyl-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is GGLJQKFBTZAEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(2)15(9-6-13)12(16)14-7-4-11(3)5-8-14/h10-11H,4-5,7-9H2,1-3H3.
What are the key properties of N-(cyanomethyl)-4-methyl-N-propan-2-ylpiperidine-1-carboxamide?
N-(cyanomethyl)-4-methyl-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 223.32 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-4-methyl-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 79159255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).