N-benzyl-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide

C20H30N2O3 — CID 45246158

IUPACN-benzyl-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC(CO)(CC2CCCCO2)CC1
InChIInChI=1S/C20H30N2O3/c23-16-20(14-18-8-4-5-13-25-18)9-11-22(12-10-20)19(24)21-15-17-6-2-1-3-7-17/h1-3,6-7,18,23H,4-5,8-16H2,(H,21,24)
InChIKeyFBKABOFQBZKFPY-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.93
Rot. Bonds5

About N-benzyl-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide

N-benzyl-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide (PubChem CID 45246158) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-benzyl-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide
PubChem CID45246158
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-benzyl-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC(CO)(CC2CCCCO2)CC1
InChIInChI=1S/C20H30N2O3/c23-16-20(14-18-8-4-5-13-25-18)9-11-22(12-10-20)19(24)21-15-17-6-2-1-3-7-17/h1-3,6-7,18,23H,4-5,8-16H2,(H,21,24)
InChIKeyFBKABOFQBZKFPY-UHFFFAOYSA-N
XLogP2.93
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-benzyl-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-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-benzyl-4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carboxamide
CID 16190976
[1-[(2E)-3-phenylprop-2-en-1-yl]-4-(tetrahydro-2H-pyran-2-ylmethyl)piperidin-4-yl]methanol
CID 16191776
N-benzyl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 24748367
ethyl 1-[(benzylamino)carbonyl]-4-(tetrahydro-2H-pyran-2-ylmethyl)-4-piperidinecarboxylate
CID 16187351
N-benzyl-4-(3-fluorobenzyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 16190463
N-(4-fluorobenzyl)-4-methoxy-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91907686
N-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110882580
1-benzhydryl-3-(3-hydroxy-3-(tetrahydro-2H-pyran-4-yl)propyl)urea
CID 86266701
4-methoxy-N-(4-methylbenzyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91917957
N-benzyl-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91918135
N-benzyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 110203877
1-Methoxy-N-[(4-methylphenyl)methyl]-7-azaspiro[3.5]nonane-7-carboxamide
CID 124045367

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-benzyl-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide (CID 45246158) is N-benzyl-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-benzyl-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide is O=C(NCc1ccccc1)N1CCC(CO)(CC2CCCCO2)CC1.
What is the InChIKey of N-benzyl-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide?
The InChIKey is FBKABOFQBZKFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c23-16-20(14-18-8-4-5-13-25-18)9-11-22(12-10-20)19(24)21-15-17-6-2-1-3-7-17/h1-3,6-7,18,23H,4-5,8-16H2,(H,21,24).
What are the key properties of N-benzyl-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide?
N-benzyl-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 45246158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).