N-[1-(cyanomethyl)-5-propan-2-ylpiperidin-3-yl]-2-methylpropanamide

C14H25N3O — CID 112542922

IUPACN-[1-(cyanomethyl)-5-propan-2-ylpiperidin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CC(C(C)C)CN(CC#N)C1
InChIInChI=1S/C14H25N3O/c1-10(2)12-7-13(16-14(18)11(3)4)9-17(8-12)6-5-15/h10-13H,6-9H2,1-4H3,(H,16,18)
InChIKeyQEMZSUMRDOXIKL-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.63
Rot. Bonds4

About N-[1-(cyanomethyl)-5-propan-2-ylpiperidin-3-yl]-2-methylpropanamide

N-[1-(cyanomethyl)-5-propan-2-ylpiperidin-3-yl]-2-methylpropanamide (PubChem CID 112542922) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[1-(cyanomethyl)-5-propan-2-ylpiperidin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(cyanomethyl)-5-propan-2-ylpiperidin-3-yl]-2-methylpropanamide
PubChem CID112542922
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[1-(cyanomethyl)-5-propan-2-ylpiperidin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CC(C(C)C)CN(CC#N)C1
InChIInChI=1S/C14H25N3O/c1-10(2)12-7-13(16-14(18)11(3)4)9-17(8-12)6-5-15/h10-13H,6-9H2,1-4H3,(H,16,18)
InChIKeyQEMZSUMRDOXIKL-UHFFFAOYSA-N
XLogP1.63
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[1-(cyanomethyl)-5-propan-2-ylpiperidin-3-yl]carbamate
CID 112543520
2-[3-(3-methylbutylamino)-5-propan-2-ylpiperidin-1-yl]acetonitrile
CID 83996109
N-[(3R)-1-(cyanomethyl)pyrrolidin-3-yl]-2-methylpropanamide
CID 156532471
N-[1-(cyanomethyl)-5-(2-hydroxybutyl)piperidin-3-yl]-2-methylpropanamide
CID 112542931
methyl N-[1-(cyanomethyl)-5-(1-hydroxypropyl)piperidin-3-yl]carbamate
CID 112543535
tert-butyl N-[1-(cyanomethyl)-5-(1-hydroxyethyl)piperidin-3-yl]carbamate
CID 112544813
N-(1-cyclopropyl-5-propan-2-ylpiperidin-3-yl)-2-methylpropanamide
CID 112542811
N-[5-(1-hydroxypropyl)-1-propylpiperidin-3-yl]-2-methylpropanamide
CID 112542596
2-[3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]acetonitrile
CID 83993356
N-[(3R)-1-(cyanomethyl)pyrrolidin-3-yl]-2-sulfanylpropanamide
CID 156532691
2-methyl-N-(5-propan-2-ylpiperidin-3-yl)propanamide
CID 118034513
N-[1-(cyanomethyl)-5-(2-cyclopropyl-2-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542487

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyanomethyl)-5-propan-2-ylpiperidin-3-yl]-2-methylpropanamide?
The IUPAC name of N-[1-(cyanomethyl)-5-propan-2-ylpiperidin-3-yl]-2-methylpropanamide (CID 112542922) is N-[1-(cyanomethyl)-5-propan-2-ylpiperidin-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(cyanomethyl)-5-propan-2-ylpiperidin-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-(cyanomethyl)-5-propan-2-ylpiperidin-3-yl]-2-methylpropanamide is CC(C)C(=O)NC1CC(C(C)C)CN(CC#N)C1.
What is the InChIKey of N-[1-(cyanomethyl)-5-propan-2-ylpiperidin-3-yl]-2-methylpropanamide?
The InChIKey is QEMZSUMRDOXIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10(2)12-7-13(16-14(18)11(3)4)9-17(8-12)6-5-15/h10-13H,6-9H2,1-4H3,(H,16,18).
What are the key properties of N-[1-(cyanomethyl)-5-propan-2-ylpiperidin-3-yl]-2-methylpropanamide?
N-[1-(cyanomethyl)-5-propan-2-ylpiperidin-3-yl]-2-methylpropanamide has a molecular weight of 251.37 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyanomethyl)-5-propan-2-ylpiperidin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 112542922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).