N-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-4-phenoxybenzamide

C20H22N2O4 — CID 30580744

IUPACN-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-4-phenoxybenzamide
SMILESO=C(NCC(=O)N1CCC[C@H](O)C1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H22N2O4/c23-16-5-4-12-22(14-16)19(24)13-21-20(25)15-8-10-18(11-9-15)26-17-6-2-1-3-7-17/h1-3,6-11,16,23H,4-5,12-14H2,(H,21,25)/t16-/m0/s1
InChIKeyDOUSCRKZOUXDTQ-INIZCTEOSA-N
MW354.41 g/mol
LogP2.19
Rot. Bonds5

About N-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-4-phenoxybenzamide

N-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-4-phenoxybenzamide (PubChem CID 30580744) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-4-phenoxybenzamide
PubChem CID30580744
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-4-phenoxybenzamide
SMILESO=C(NCC(=O)N1CCC[C@H](O)C1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H22N2O4/c23-16-5-4-12-22(14-16)19(24)13-21-20(25)15-8-10-18(11-9-15)26-17-6-2-1-3-7-17/h1-3,6-11,16,23H,4-5,12-14H2,(H,21,25)/t16-/m0/s1
InChIKeyDOUSCRKZOUXDTQ-INIZCTEOSA-N
XLogP2.19
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-hydroxypiperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 51458046
N-[2-(4-chloropiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide
CID 88975994
N-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]benzamide
CID 166176480
(2S)-4-hydroxy-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 175438606
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]benzamide;hydrochloride
CID 119380136
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide
CID 27671405
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790353
[2-(azocan-1-yl)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 9348238
N-[2-[3-(aminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride
CID 119465004
N-[2-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 95301942
[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790334
3-methoxy-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 112995627

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-4-phenoxybenzamide?
The IUPAC name of N-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-4-phenoxybenzamide (CID 30580744) is N-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-4-phenoxybenzamide.
What is the SMILES notation for N-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-4-phenoxybenzamide?
The canonical SMILES for N-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-4-phenoxybenzamide is O=C(NCC(=O)N1CCC[C@H](O)C1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-4-phenoxybenzamide?
The InChIKey is DOUSCRKZOUXDTQ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H22N2O4/c23-16-5-4-12-22(14-16)19(24)13-21-20(25)15-8-10-18(11-9-15)26-17-6-2-1-3-7-17/h1-3,6-11,16,23H,4-5,12-14H2,(H,21,25)/t16-/m0/s1.
What are the key properties of N-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-4-phenoxybenzamide?
N-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-4-phenoxybenzamide has a molecular weight of 354.41 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-4-phenoxybenzamide is sourced from PubChem (CID 30580744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).