N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide

C15H26N2O3 — CID 80711706

IUPACN-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)NCC2(CO)CC2)CC1
InChIInChI=1S/C15H26N2O3/c1-11(2)14(20)17-7-3-12(4-8-17)13(19)16-9-15(10-18)5-6-15/h11-12,18H,3-10H2,1-2H3,(H,16,19)
InChIKeyWZLVIVPVJHIBSQ-UHFFFAOYSA-N
MW282.38 g/mol
LogP0.77
Rot. Bonds5

About N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide (PubChem CID 80711706) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
PubChem CID80711706
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)NCC2(CO)CC2)CC1
InChIInChI=1S/C15H26N2O3/c1-11(2)14(20)17-7-3-12(4-8-17)13(19)16-9-15(10-18)5-6-15/h11-12,18H,3-10H2,1-2H3,(H,16,19)
InChIKeyWZLVIVPVJHIBSQ-UHFFFAOYSA-N
XLogP0.77
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide (CID 80711706) is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide is CC(C)C(=O)N1CCC(C(=O)NCC2(CO)CC2)CC1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The InChIKey is WZLVIVPVJHIBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11(2)14(20)17-7-3-12(4-8-17)13(19)16-9-15(10-18)5-6-15/h11-12,18H,3-10H2,1-2H3,(H,16,19).
What are the key properties of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide has a molecular weight of 282.38 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 80711706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).