(2S)-2-(2-hydroxyethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-1-carboxamide

C17H26N2O2 — CID 124670162

IUPAC(2S)-2-(2-hydroxyethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-1-carboxamide
SMILESCc1ccc(CCNC(=O)N2CCCC[C@H]2CCO)cc1
InChIInChI=1S/C17H26N2O2/c1-14-5-7-15(8-6-14)9-11-18-17(21)19-12-3-2-4-16(19)10-13-20/h5-8,16,20H,2-4,9-13H2,1H3,(H,18,21)/t16-/m0/s1
InChIKeyLUMPQLXGISPOFE-INIZCTEOSA-N
MW290.41 g/mol
LogP2.48
Rot. Bonds5

About (2S)-2-(2-hydroxyethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-1-carboxamide

(2S)-2-(2-hydroxyethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-1-carboxamide (PubChem CID 124670162) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (2S)-2-(2-hydroxyethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(2-hydroxyethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-1-carboxamide
PubChem CID124670162
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(2S)-2-(2-hydroxyethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-1-carboxamide
SMILESCc1ccc(CCNC(=O)N2CCCC[C@H]2CCO)cc1
InChIInChI=1S/C17H26N2O2/c1-14-5-7-15(8-6-14)9-11-18-17(21)19-12-3-2-4-16(19)10-13-20/h5-8,16,20H,2-4,9-13H2,1H3,(H,18,21)/t16-/m0/s1
InChIKeyLUMPQLXGISPOFE-INIZCTEOSA-N
XLogP2.48
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,5R,6R)-Tetrahydro-5-hydroxy-4-(2-phenylethyl)-6-(phenylmethyl)-2(1H)-pyrimidinone
CID 475826
(4R,5S,6R)-4,7-dibenzyl-5-hydroxy-1,3-diazabicyclo[4.1.0]heptan-2-one
CID 471244
1-(4-Hydroxycyclohexyl)-3-(4-phenylbutyl)urea
CID 154665770
(2S,3S,4S)-2-cyano-4-(hydroxymethyl)-3-(4-phenylphenyl)-N-propylazetidine-1-carboxamide
CID 137645921
3-(Hydroxymethyl)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide
CID 24748435
N'-Cyclohexyl-N-(1-hydroxy-3-phenylpropan-2-yl)carbamimidic acid
CID 209000
1-(2,2-diphenylethyl)-3-[(1R)-1-(hydroxymethyl)propyl]urea
CID 72196937
(RS)-3-(hydroxymethyl)-N-(1-phenylethyl)piperidine-1-carboxamide
CID 24748400
4-Benzyl-5-hydroxy-6-(2-phenylethyl)-1,3-diazinan-2-one
CID 49823222
(2S,3S,4R)-2-cyano-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide
CID 54650184
(2S,3S,4S)-2-cyano-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide
CID 54650186
(2S,3S,4S)-2-cyano-N-cyclopentyl-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidine-1-carboxamide
CID 54650432

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-hydroxyethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-1-carboxamide?
The IUPAC name of (2S)-2-(2-hydroxyethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-1-carboxamide (CID 124670162) is (2S)-2-(2-hydroxyethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(2-hydroxyethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for (2S)-2-(2-hydroxyethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-1-carboxamide is Cc1ccc(CCNC(=O)N2CCCC[C@H]2CCO)cc1.
What is the InChIKey of (2S)-2-(2-hydroxyethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-1-carboxamide?
The InChIKey is LUMPQLXGISPOFE-INIZCTEOSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14-5-7-15(8-6-14)9-11-18-17(21)19-12-3-2-4-16(19)10-13-20/h5-8,16,20H,2-4,9-13H2,1H3,(H,18,21)/t16-/m0/s1.
What are the key properties of (2S)-2-(2-hydroxyethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-1-carboxamide?
(2S)-2-(2-hydroxyethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-hydroxyethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 124670162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).