4-[hydroxy(phenyl)methyl]-N-(4-methylhexan-2-yl)piperidine-1-carboxamide

C20H32N2O2 — CID 111482912

IUPAC4-[hydroxy(phenyl)methyl]-N-(4-methylhexan-2-yl)piperidine-1-carboxamide
SMILESCCC(C)CC(C)NC(=O)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C20H32N2O2/c1-4-15(2)14-16(3)21-20(24)22-12-10-18(11-13-22)19(23)17-8-6-5-7-9-17/h5-9,15-16,18-19,23H,4,10-14H2,1-3H3,(H,21,24)
InChIKeyLODXLFKFVIYHIR-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.97
Rot. Bonds6

About 4-[hydroxy(phenyl)methyl]-N-(4-methylhexan-2-yl)piperidine-1-carboxamide

4-[hydroxy(phenyl)methyl]-N-(4-methylhexan-2-yl)piperidine-1-carboxamide (PubChem CID 111482912) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 4-[hydroxy(phenyl)methyl]-N-(4-methylhexan-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[hydroxy(phenyl)methyl]-N-(4-methylhexan-2-yl)piperidine-1-carboxamide
PubChem CID111482912
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name4-[hydroxy(phenyl)methyl]-N-(4-methylhexan-2-yl)piperidine-1-carboxamide
SMILESCCC(C)CC(C)NC(=O)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C20H32N2O2/c1-4-15(2)14-16(3)21-20(24)22-12-10-18(11-13-22)19(23)17-8-6-5-7-9-17/h5-9,15-16,18-19,23H,4,10-14H2,1-3H3,(H,21,24)
InChIKeyLODXLFKFVIYHIR-UHFFFAOYSA-N
XLogP3.97
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[hydroxy(phenyl)methyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-1-carboxamide
CID 87000052
4-[(S)-hydroxy(phenyl)methyl]-N-phenylpiperidine-1-carboxamide
CID 51547304
N-(2,2-dimethyl-1-phenylpropyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438235
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-one
CID 110909523
N-cyclopentyl-4-[(R)-hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 38206268
N-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 55590117
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-4-methylpentan-1-one
CID 110909501
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 110909513
4-[(4-fluorophenyl)-hydroxymethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 111109261
2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-2-phenylacetic acid
CID 115965924
4-[hydroxy(phenyl)methyl]-N-(3,3,3-trifluoropropyl)piperidine-1-carboxamide
CID 111483064
N-(3-butoxypropyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 86999291

Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy(phenyl)methyl]-N-(4-methylhexan-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[hydroxy(phenyl)methyl]-N-(4-methylhexan-2-yl)piperidine-1-carboxamide (CID 111482912) is 4-[hydroxy(phenyl)methyl]-N-(4-methylhexan-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[hydroxy(phenyl)methyl]-N-(4-methylhexan-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[hydroxy(phenyl)methyl]-N-(4-methylhexan-2-yl)piperidine-1-carboxamide is CCC(C)CC(C)NC(=O)N1CCC(C(O)c2ccccc2)CC1.
What is the InChIKey of 4-[hydroxy(phenyl)methyl]-N-(4-methylhexan-2-yl)piperidine-1-carboxamide?
The InChIKey is LODXLFKFVIYHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-4-15(2)14-16(3)21-20(24)22-12-10-18(11-13-22)19(23)17-8-6-5-7-9-17/h5-9,15-16,18-19,23H,4,10-14H2,1-3H3,(H,21,24).
What are the key properties of 4-[hydroxy(phenyl)methyl]-N-(4-methylhexan-2-yl)piperidine-1-carboxamide?
4-[hydroxy(phenyl)methyl]-N-(4-methylhexan-2-yl)piperidine-1-carboxamide has a molecular weight of 332.49 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy(phenyl)methyl]-N-(4-methylhexan-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 111482912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).