N-cyclohexyl-4-[[3-(hydroxymethyl)oxetan-3-yl]methyl]piperazine-1-carboxamide

C16H29N3O3 — CID 97056130

IUPACN-cyclohexyl-4-[[3-(hydroxymethyl)oxetan-3-yl]methyl]piperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(CC2(CO)COC2)CC1
InChIInChI=1S/C16H29N3O3/c20-11-16(12-22-13-16)10-18-6-8-19(9-7-18)15(21)17-14-4-2-1-3-5-14/h14,20H,1-13H2,(H,17,21)
InChIKeyDLOKYHNLONGQMT-UHFFFAOYSA-N
MW311.43 g/mol
LogP0.66
Rot. Bonds4

About N-cyclohexyl-4-[[3-(hydroxymethyl)oxetan-3-yl]methyl]piperazine-1-carboxamide

N-cyclohexyl-4-[[3-(hydroxymethyl)oxetan-3-yl]methyl]piperazine-1-carboxamide (PubChem CID 97056130) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-cyclohexyl-4-[[3-(hydroxymethyl)oxetan-3-yl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[[3-(hydroxymethyl)oxetan-3-yl]methyl]piperazine-1-carboxamide
PubChem CID97056130
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC NameN-cyclohexyl-4-[[3-(hydroxymethyl)oxetan-3-yl]methyl]piperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(CC2(CO)COC2)CC1
InChIInChI=1S/C16H29N3O3/c20-11-16(12-22-13-16)10-18-6-8-19(9-7-18)15(21)17-14-4-2-1-3-5-14/h14,20H,1-13H2,(H,17,21)
InChIKeyDLOKYHNLONGQMT-UHFFFAOYSA-N
XLogP0.66
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-4-[[3-(hydroxymethyl)oxetan-3-yl]methyl]piperazine-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-cycloheptyl-4-ethylpiperazine-1-carboxamide
CID 108988502
3-[4-(cycloheptylcarbamoyl)piperazin-1-yl]propanoic acid
CID 61194091
3-[4-(cyclohexylcarbamoyl)-1,4-diazepan-1-yl]propanoic acid
CID 82322944
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
N-cyclobutyl-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide
CID 116658505
4-(4-aminobutyl)-N-cyclohexyl-1,4-diazepane-1-carboxamide
CID 43252425
N-cyclooctyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894622
N-cycloheptyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894742
N-cyclohexyl-4-(oxetan-3-yl)piperazine-1-carboxamide
CID 153404857
N-cyclopropyl-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide
CID 63309757
4-(2-amino-2-methylpropyl)-N-cyclohexylpiperazine-1-carboxamide
CID 120847763
N-cyclopentyl-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboxamide
CID 78924950

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[[3-(hydroxymethyl)oxetan-3-yl]methyl]piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[[3-(hydroxymethyl)oxetan-3-yl]methyl]piperazine-1-carboxamide (CID 97056130) is N-cyclohexyl-4-[[3-(hydroxymethyl)oxetan-3-yl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[[3-(hydroxymethyl)oxetan-3-yl]methyl]piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[[3-(hydroxymethyl)oxetan-3-yl]methyl]piperazine-1-carboxamide is O=C(NC1CCCCC1)N1CCN(CC2(CO)COC2)CC1.
What is the InChIKey of N-cyclohexyl-4-[[3-(hydroxymethyl)oxetan-3-yl]methyl]piperazine-1-carboxamide?
The InChIKey is DLOKYHNLONGQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c20-11-16(12-22-13-16)10-18-6-8-19(9-7-18)15(21)17-14-4-2-1-3-5-14/h14,20H,1-13H2,(H,17,21).
What are the key properties of N-cyclohexyl-4-[[3-(hydroxymethyl)oxetan-3-yl]methyl]piperazine-1-carboxamide?
N-cyclohexyl-4-[[3-(hydroxymethyl)oxetan-3-yl]methyl]piperazine-1-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[[3-(hydroxymethyl)oxetan-3-yl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 97056130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).