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

C12H21N3O — CID 176982125

IUPACN-(cyanomethyl)-N-methyl-4-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)C1CCN(C(=O)N(C)CC#N)CC1
InChIInChI=1S/C12H21N3O/c1-10(2)11-4-7-15(8-5-11)12(16)14(3)9-6-13/h10-11H,4-5,7-9H2,1-3H3
InChIKeyWRAJXKZCNUEORY-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.93
Rot. Bonds2

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

N-(cyanomethyl)-N-methyl-4-propan-2-ylpiperidine-1-carboxamide (PubChem CID 176982125) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(cyanomethyl)-N-methyl-4-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-methyl-4-propan-2-ylpiperidine-1-carboxamide
PubChem CID176982125
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-(cyanomethyl)-N-methyl-4-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)C1CCN(C(=O)N(C)CC#N)CC1
InChIInChI=1S/C12H21N3O/c1-10(2)11-4-7-15(8-5-11)12(16)14(3)9-6-13/h10-11H,4-5,7-9H2,1-3H3
InChIKeyWRAJXKZCNUEORY-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-methyl-4-propan-2-ylazepane-1-carboxamide
CID 116656255
N,N-dimethyl-4-propan-2-ylpiperidine-1-carboxamide
CID 58688988
3-oxo-3-(4-propan-2-ylpiperidin-1-yl)propanenitrile
CID 58641605
N-(cyanomethyl)-4-methyl-N-propan-2-ylpiperidine-1-carboxamide
CID 79159255
1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 12791779
2-[methyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]propanoic acid
CID 103500513
N-ethyl-4-hydroxy-N-methylpiperidine-1-carboxamide
CID 79160344
3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]-methylamino]propanoic acid
CID 106836785
2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 20811818
N,4-dimethyl-3-propan-2-yl-N-prop-2-ynylpiperidine-1-carboxamide
CID 89449481
ethane;2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 143709835
2-methyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 90077533

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-methyl-4-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of N-(cyanomethyl)-N-methyl-4-propan-2-ylpiperidine-1-carboxamide (CID 176982125) is N-(cyanomethyl)-N-methyl-4-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-N-methyl-4-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for N-(cyanomethyl)-N-methyl-4-propan-2-ylpiperidine-1-carboxamide is CC(C)C1CCN(C(=O)N(C)CC#N)CC1.
What is the InChIKey of N-(cyanomethyl)-N-methyl-4-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is WRAJXKZCNUEORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(2)11-4-7-15(8-5-11)12(16)14(3)9-6-13/h10-11H,4-5,7-9H2,1-3H3.
What are the key properties of N-(cyanomethyl)-N-methyl-4-propan-2-ylpiperidine-1-carboxamide?
N-(cyanomethyl)-N-methyl-4-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 223.32 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-methyl-4-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 176982125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).