(2S,4S)-N-(5-chloro-2-methoxyphenyl)-2-ethyl-4-hydroxypiperidine-1-carboxamide

C15H21ClN2O3 — CID 137334290

IUPAC(2S,4S)-N-(5-chloro-2-methoxyphenyl)-2-ethyl-4-hydroxypiperidine-1-carboxamide
SMILESCC[C@H]1C[C@@H](O)CCN1C(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C15H21ClN2O3/c1-3-11-9-12(19)6-7-18(11)15(20)17-13-8-10(16)4-5-14(13)21-2/h4-5,8,11-12,19H,3,6-7,9H2,1-2H3,(H,17,20)/t11-,12-/m0/s1
InChIKeyNYWGOLAHCUBYKT-RYUDHWBXSA-N
MW312.80 g/mol
LogP3.12
Rot. Bonds3

About (2S,4S)-N-(5-chloro-2-methoxyphenyl)-2-ethyl-4-hydroxypiperidine-1-carboxamide

(2S,4S)-N-(5-chloro-2-methoxyphenyl)-2-ethyl-4-hydroxypiperidine-1-carboxamide (PubChem CID 137334290) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is (2S,4S)-N-(5-chloro-2-methoxyphenyl)-2-ethyl-4-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-(5-chloro-2-methoxyphenyl)-2-ethyl-4-hydroxypiperidine-1-carboxamide
PubChem CID137334290
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name(2S,4S)-N-(5-chloro-2-methoxyphenyl)-2-ethyl-4-hydroxypiperidine-1-carboxamide
SMILESCC[C@H]1C[C@@H](O)CCN1C(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C15H21ClN2O3/c1-3-11-9-12(19)6-7-18(11)15(20)17-13-8-10(16)4-5-14(13)21-2/h4-5,8,11-12,19H,3,6-7,9H2,1-2H3,(H,17,20)/t11-,12-/m0/s1
InChIKeyNYWGOLAHCUBYKT-RYUDHWBXSA-N
XLogP3.12
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(5-chloro-2-methoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430962
3-(5-chloro-2-methoxyanilino)-1-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]propan-1-one
CID 99779193
(2S)-N-(5-bromo-2-methoxyphenyl)-2-ethylpiperidine-1-carboxamide
CID 97313947
N-(5-chloro-2-methoxyphenyl)-4-(4-ethyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxamide
CID 3850323
N-(5-chloro-2-methoxyphenyl)-4-(methoxymethyl)piperidine-1-carboxamide
CID 121091740
methyl 4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperazine-1-carboxylate
CID 108875630
N-(5-chloro-2-methoxyphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 20965013
2-butyl-N-(5-chloro-2-methoxyphenyl)-4-methyl-3-oxopiperazine-1-carboxamide
CID 70767118
N-(5-chloro-2-methoxyphenyl)-3-(piperidin-1-ylmethyl)-1,4-thiazepane-4-carboxamide
CID 90569005
N-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 60842124
(3S)-1-[(5-chloro-2-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121106
(2S)-N-(5-chloro-2-propoxyphenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 97027964

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(5-chloro-2-methoxyphenyl)-2-ethyl-4-hydroxypiperidine-1-carboxamide?
The IUPAC name of (2S,4S)-N-(5-chloro-2-methoxyphenyl)-2-ethyl-4-hydroxypiperidine-1-carboxamide (CID 137334290) is (2S,4S)-N-(5-chloro-2-methoxyphenyl)-2-ethyl-4-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for (2S,4S)-N-(5-chloro-2-methoxyphenyl)-2-ethyl-4-hydroxypiperidine-1-carboxamide?
The canonical SMILES for (2S,4S)-N-(5-chloro-2-methoxyphenyl)-2-ethyl-4-hydroxypiperidine-1-carboxamide is CC[C@H]1C[C@@H](O)CCN1C(=O)Nc1cc(Cl)ccc1OC.
What is the InChIKey of (2S,4S)-N-(5-chloro-2-methoxyphenyl)-2-ethyl-4-hydroxypiperidine-1-carboxamide?
The InChIKey is NYWGOLAHCUBYKT-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-3-11-9-12(19)6-7-18(11)15(20)17-13-8-10(16)4-5-14(13)21-2/h4-5,8,11-12,19H,3,6-7,9H2,1-2H3,(H,17,20)/t11-,12-/m0/s1.
What are the key properties of (2S,4S)-N-(5-chloro-2-methoxyphenyl)-2-ethyl-4-hydroxypiperidine-1-carboxamide?
(2S,4S)-N-(5-chloro-2-methoxyphenyl)-2-ethyl-4-hydroxypiperidine-1-carboxamide has a molecular weight of 312.80 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(5-chloro-2-methoxyphenyl)-2-ethyl-4-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 137334290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).