(3S)-3-[(1R)-1-hydroxyethyl]-N-(3-phenoxyphenyl)piperidine-1-carboxamide

C20H24N2O3 — CID 97238064

IUPAC(3S)-3-[(1R)-1-hydroxyethyl]-N-(3-phenoxyphenyl)piperidine-1-carboxamide
SMILESC[C@@H](O)[C@H]1CCCN(C(=O)Nc2cccc(Oc3ccccc3)c2)C1
InChIInChI=1S/C20H24N2O3/c1-15(23)16-7-6-12-22(14-16)20(24)21-17-8-5-11-19(13-17)25-18-9-3-2-4-10-18/h2-5,8-11,13,15-16,23H,6-7,12,14H2,1H3,(H,21,24)/t15-,16+/m1/s1
InChIKeyGZPZLIGQTUSICN-CVEARBPZSA-N
MW340.42 g/mol
LogP4.10
Rot. Bonds4

About (3S)-3-[(1R)-1-hydroxyethyl]-N-(3-phenoxyphenyl)piperidine-1-carboxamide

(3S)-3-[(1R)-1-hydroxyethyl]-N-(3-phenoxyphenyl)piperidine-1-carboxamide (PubChem CID 97238064) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (3S)-3-[(1R)-1-hydroxyethyl]-N-(3-phenoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[(1R)-1-hydroxyethyl]-N-(3-phenoxyphenyl)piperidine-1-carboxamide
PubChem CID97238064
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(3S)-3-[(1R)-1-hydroxyethyl]-N-(3-phenoxyphenyl)piperidine-1-carboxamide
SMILESC[C@@H](O)[C@H]1CCCN(C(=O)Nc2cccc(Oc3ccccc3)c2)C1
InChIInChI=1S/C20H24N2O3/c1-15(23)16-7-6-12-22(14-16)20(24)21-17-8-5-11-19(13-17)25-18-9-3-2-4-10-18/h2-5,8-11,13,15-16,23H,6-7,12,14H2,1H3,(H,21,24)/t15-,16+/m1/s1
InChIKeyGZPZLIGQTUSICN-CVEARBPZSA-N
XLogP4.10
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-hydroxyethyl)-N-(3-phenoxyphenyl)pyrrolidine-1-carboxamide
CID 75503696
4-(1-hydroxyethyl)-N-(3-phenoxyphenyl)piperidine-1-carboxamide
CID 111424875
(3R)-N-[4-(3-fluorophenoxy)phenyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide
CID 97351371
N-(3-cyclopentyloxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111424820
2-ethyl-N-(3-phenoxyphenyl)morpholine-4-carboxamide
CID 75405540
4-cyclopropyl-4-hydroxy-N-(3-phenoxyphenyl)piperidine-1-carboxamide
CID 23071756
4-cyclohexyl-4-hydroxy-N-(3-phenoxyphenyl)piperidine-1-carboxamide
CID 23071773
3-[bis(4-fluorophenyl)methyl]-N-phenylpiperidine-1-carboxamide
CID 166755800
3-(1-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 75477203
(3R)-1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide
CID 52663493
1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide
CID 56684470
3-(1-hydroxyethyl)-N-(2-phenylpyrimidin-5-yl)pyrrolidine-1-carboxamide
CID 136521775

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1R)-1-hydroxyethyl]-N-(3-phenoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-3-[(1R)-1-hydroxyethyl]-N-(3-phenoxyphenyl)piperidine-1-carboxamide (CID 97238064) is (3S)-3-[(1R)-1-hydroxyethyl]-N-(3-phenoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[(1R)-1-hydroxyethyl]-N-(3-phenoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-[(1R)-1-hydroxyethyl]-N-(3-phenoxyphenyl)piperidine-1-carboxamide is C[C@@H](O)[C@H]1CCCN(C(=O)Nc2cccc(Oc3ccccc3)c2)C1.
What is the InChIKey of (3S)-3-[(1R)-1-hydroxyethyl]-N-(3-phenoxyphenyl)piperidine-1-carboxamide?
The InChIKey is GZPZLIGQTUSICN-CVEARBPZSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15(23)16-7-6-12-22(14-16)20(24)21-17-8-5-11-19(13-17)25-18-9-3-2-4-10-18/h2-5,8-11,13,15-16,23H,6-7,12,14H2,1H3,(H,21,24)/t15-,16+/m1/s1.
What are the key properties of (3S)-3-[(1R)-1-hydroxyethyl]-N-(3-phenoxyphenyl)piperidine-1-carboxamide?
(3S)-3-[(1R)-1-hydroxyethyl]-N-(3-phenoxyphenyl)piperidine-1-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1R)-1-hydroxyethyl]-N-(3-phenoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 97238064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).