N-(2,2-dimethyl-5-phenylpentyl)-4-(hydroxymethyl)piperidine-1-carboxamide

C20H32N2O2 — CID 111176017

IUPACN-(2,2-dimethyl-5-phenylpentyl)-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCC(C)(CCCc1ccccc1)CNC(=O)N1CCC(CO)CC1
InChIInChI=1S/C20H32N2O2/c1-20(2,12-6-9-17-7-4-3-5-8-17)16-21-19(24)22-13-10-18(15-23)11-14-22/h3-5,7-8,18,23H,6,9-16H2,1-2H3,(H,21,24)
InChIKeyFWOHKPSGDGXSEQ-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.45
Rot. Bonds7

About N-(2,2-dimethyl-5-phenylpentyl)-4-(hydroxymethyl)piperidine-1-carboxamide

N-(2,2-dimethyl-5-phenylpentyl)-4-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 111176017) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-(2,2-dimethyl-5-phenylpentyl)-4-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-5-phenylpentyl)-4-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID111176017
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC NameN-(2,2-dimethyl-5-phenylpentyl)-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCC(C)(CCCc1ccccc1)CNC(=O)N1CCC(CO)CC1
InChIInChI=1S/C20H32N2O2/c1-20(2,12-6-9-17-7-4-3-5-8-17)16-21-19(24)22-13-10-18(15-23)11-14-22/h3-5,7-8,18,23H,6,9-16H2,1-2H3,(H,21,24)
InChIKeyFWOHKPSGDGXSEQ-UHFFFAOYSA-N
XLogP3.45
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(hydroxymethyl)-N-(4-phenylbutyl)piperidine-1-carboxamide
CID 118398509
4-(hydroxymethyl)-N-[2-methyl-2-(1-phenylethylamino)propyl]piperidine-1-carboxamide
CID 111123444
1-[4-(hydroxymethyl)piperidin-1-yl]-2-(2-phenylethylsulfanyl)ethanone
CID 60956543
N-[2-(4-tert-butylphenyl)ethyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443632
2-chloro-1-[4-(3-phenylpropyl)piperidin-1-yl]ethanone
CID 19961796
3-(hydroxymethyl)-N-(3-phenylpropyl)azetidine-1-carboxamide
CID 121105872
N-(4,4-dimethylpentyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111444336
N-[(1-benzylcyclopentyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110013386
4-(3-phenylpropyl)piperidine-1-carboxylic acid
CID 67759674
N-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894603
3-[(2,2-dimethyl-5-phenylpentyl)carbamoylamino]propanoic acid
CID 122002181
3-(4-benzylpiperidin-1-yl)-3-oxo-N-(3-phenylpropyl)propanamide
CID 108951179

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-5-phenylpentyl)-4-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-(2,2-dimethyl-5-phenylpentyl)-4-(hydroxymethyl)piperidine-1-carboxamide (CID 111176017) is N-(2,2-dimethyl-5-phenylpentyl)-4-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2,2-dimethyl-5-phenylpentyl)-4-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(2,2-dimethyl-5-phenylpentyl)-4-(hydroxymethyl)piperidine-1-carboxamide is CC(C)(CCCc1ccccc1)CNC(=O)N1CCC(CO)CC1.
What is the InChIKey of N-(2,2-dimethyl-5-phenylpentyl)-4-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is FWOHKPSGDGXSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-20(2,12-6-9-17-7-4-3-5-8-17)16-21-19(24)22-13-10-18(15-23)11-14-22/h3-5,7-8,18,23H,6,9-16H2,1-2H3,(H,21,24).
What are the key properties of N-(2,2-dimethyl-5-phenylpentyl)-4-(hydroxymethyl)piperidine-1-carboxamide?
N-(2,2-dimethyl-5-phenylpentyl)-4-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 332.49 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-5-phenylpentyl)-4-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 111176017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).