N-(2,4-dimethylphenyl)-4-(hydroxymethyl)-4-(2-phenoxyethyl)piperidine-1-carboxamide

C23H30N2O3 — CID 42210994

IUPACN-(2,4-dimethylphenyl)-4-(hydroxymethyl)-4-(2-phenoxyethyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(CO)(CCOc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C23H30N2O3/c1-18-8-9-21(19(2)16-18)24-22(27)25-13-10-23(17-26,11-14-25)12-15-28-20-6-4-3-5-7-20/h3-9,16,26H,10-15,17H2,1-2H3,(H,24,27)
InChIKeyPXGSCEAKDQTSBT-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.38
Rot. Bonds6

About N-(2,4-dimethylphenyl)-4-(hydroxymethyl)-4-(2-phenoxyethyl)piperidine-1-carboxamide

N-(2,4-dimethylphenyl)-4-(hydroxymethyl)-4-(2-phenoxyethyl)piperidine-1-carboxamide (PubChem CID 42210994) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-(hydroxymethyl)-4-(2-phenoxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-(hydroxymethyl)-4-(2-phenoxyethyl)piperidine-1-carboxamide
PubChem CID42210994
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-(2,4-dimethylphenyl)-4-(hydroxymethyl)-4-(2-phenoxyethyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(CO)(CCOc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C23H30N2O3/c1-18-8-9-21(19(2)16-18)24-22(27)25-13-10-23(17-26,11-14-25)12-15-28-20-6-4-3-5-7-20/h3-9,16,26H,10-15,17H2,1-2H3,(H,24,27)
InChIKeyPXGSCEAKDQTSBT-UHFFFAOYSA-N
XLogP4.38
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2,4-dimethylphenyl)-N-(2-phenoxyethyl)oxamide
CID 4241326
1-[4-(hydroxymethyl)-4-(2-phenoxyethyl)piperidin-1-yl]-2-phenylsulfanylethanone
CID 25452779
4-benzyl-N-(2,4-dimethoxyphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 42415106
methyl (2S)-2-benzamido-4-[8-[(2,4-dimethylphenyl)carbamoyl]-2,8-diazaspiro[4.5]decan-2-yl]-4-oxobutanoate
CID 74228977
N-(2,4-dimethylphenyl)-2-[2-[2-(trifluoromethoxy)phenyl]acetyl]-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 3715315
(4R)-8-[(2,4-dimethylphenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97208271
N-(2,4-dimethylphenyl)-4-(2-methylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 42774063
[4-(2-phenoxyethyl)-1-(2-phenylethyl)piperidin-4-yl]methanol
CID 126461306
2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-5-methylbenzoic acid
CID 62931539
N-(2,4-dimethylphenyl)-2-[2-(5-phenyltetrazol-2-yl)acetyl]-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 3735152
N-(4-chloro-2-methylphenyl)-4-hydroxy-4-(methoxymethyl)piperidine-1-carboxamide
CID 136518198
[1-(5-fluoro-2-methylphenyl)sulfonyl-4-(2-phenoxyethyl)piperidin-4-yl]methanol
CID 42303614

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-(hydroxymethyl)-4-(2-phenoxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-4-(hydroxymethyl)-4-(2-phenoxyethyl)piperidine-1-carboxamide (CID 42210994) is N-(2,4-dimethylphenyl)-4-(hydroxymethyl)-4-(2-phenoxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-(hydroxymethyl)-4-(2-phenoxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-(hydroxymethyl)-4-(2-phenoxyethyl)piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(CO)(CCOc3ccccc3)CC2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-(hydroxymethyl)-4-(2-phenoxyethyl)piperidine-1-carboxamide?
The InChIKey is PXGSCEAKDQTSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-18-8-9-21(19(2)16-18)24-22(27)25-13-10-23(17-26,11-14-25)12-15-28-20-6-4-3-5-7-20/h3-9,16,26H,10-15,17H2,1-2H3,(H,24,27).
What are the key properties of N-(2,4-dimethylphenyl)-4-(hydroxymethyl)-4-(2-phenoxyethyl)piperidine-1-carboxamide?
N-(2,4-dimethylphenyl)-4-(hydroxymethyl)-4-(2-phenoxyethyl)piperidine-1-carboxamide has a molecular weight of 382.50 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4-(hydroxymethyl)-4-(2-phenoxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 42210994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).