(2S)-2-(2-hydroxyethyl)-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide

C18H28N2O3 — CID 125444999

IUPAC(2S)-2-(2-hydroxyethyl)-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCCCOc1ccccc1CNC(=O)N1CCCC[C@H]1CCO
InChIInChI=1S/C18H28N2O3/c1-2-13-23-17-9-4-3-7-15(17)14-19-18(22)20-11-6-5-8-16(20)10-12-21/h3-4,7,9,16,21H,2,5-6,8,10-14H2,1H3,(H,19,22)/t16-/m0/s1
InChIKeyYPSWFAVLGWSTIK-INIZCTEOSA-N
MW320.43 g/mol
LogP2.92
Rot. Bonds7

About (2S)-2-(2-hydroxyethyl)-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide

(2S)-2-(2-hydroxyethyl)-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide (PubChem CID 125444999) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is (2S)-2-(2-hydroxyethyl)-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(2-hydroxyethyl)-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide
PubChem CID125444999
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name(2S)-2-(2-hydroxyethyl)-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCCCOc1ccccc1CNC(=O)N1CCCC[C@H]1CCO
InChIInChI=1S/C18H28N2O3/c1-2-13-23-17-9-4-3-7-15(17)14-19-18(22)20-11-6-5-8-16(20)10-12-21/h3-4,7,9,16,21H,2,5-6,8,10-14H2,1H3,(H,19,22)/t16-/m0/s1
InChIKeyYPSWFAVLGWSTIK-INIZCTEOSA-N
XLogP2.92
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxyethyl)-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide
CID 122568396
N-[(2-ethoxyphenyl)methyl]-2-methylpiperidine-1-carboxamide
CID 47376286
(2S)-N-(5-chloro-2-propoxyphenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 97027964
(3S,3aS,7aR)-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 99853495
2-(2-hydroxyethyl)-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide
CID 108898255
(2R)-N-[[2-(dimethylamino)-4-methylphenyl]methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 99851395
4-morpholin-4-yl-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide
CID 122560980
N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)piperidine-1-carboxamide
CID 119059677
2-ethyl-N-[2-(2-fluorophenoxy)ethyl]piperidine-1-carboxamide
CID 112970222
(2S)-N-[3-(2-fluorophenyl)propyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 125140406
N-[(3-fluorophenyl)methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 108898597
N-[[2-(2-hydroxyethoxy)phenyl]methyl]-3,5-dimethylpiperidine-1-carboxamide
CID 111459230

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-hydroxyethyl)-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of (2S)-2-(2-hydroxyethyl)-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide (CID 125444999) is (2S)-2-(2-hydroxyethyl)-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(2-hydroxyethyl)-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for (2S)-2-(2-hydroxyethyl)-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide is CCCOc1ccccc1CNC(=O)N1CCCC[C@H]1CCO.
What is the InChIKey of (2S)-2-(2-hydroxyethyl)-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide?
The InChIKey is YPSWFAVLGWSTIK-INIZCTEOSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-2-13-23-17-9-4-3-7-15(17)14-19-18(22)20-11-6-5-8-16(20)10-12-21/h3-4,7,9,16,21H,2,5-6,8,10-14H2,1H3,(H,19,22)/t16-/m0/s1.
What are the key properties of (2S)-2-(2-hydroxyethyl)-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide?
(2S)-2-(2-hydroxyethyl)-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide has a molecular weight of 320.43 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-hydroxyethyl)-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 125444999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).