(3R)-1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidine-3-carboxamide

C20H22ClN3O3 — CID 9304566

IUPAC(3R)-1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)C1
InChIInChI=1S/C20H22ClN3O3/c21-15-8-9-18(27-16-6-2-1-3-7-16)17(11-15)23-19(25)13-24-10-4-5-14(12-24)20(22)26/h1-3,6-9,11,14H,4-5,10,12-13H2,(H2,22,26)(H,23,25)/t14-/m1/s1
InChIKeyHYIIZAIEMZSRQP-CQSZACIVSA-N
MW387.87 g/mol
LogP3.27
Rot. Bonds6

About (3R)-1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidine-3-carboxamide

(3R)-1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidine-3-carboxamide (PubChem CID 9304566) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is (3R)-1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidine-3-carboxamide
PubChem CID9304566
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name(3R)-1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)C1
InChIInChI=1S/C20H22ClN3O3/c21-15-8-9-18(27-16-6-2-1-3-7-16)17(11-15)23-19(25)13-24-10-4-5-14(12-24)20(22)26/h1-3,6-9,11,14H,4-5,10,12-13H2,(H2,22,26)(H,23,25)/t14-/m1/s1
InChIKeyHYIIZAIEMZSRQP-CQSZACIVSA-N
XLogP3.27
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 2399286
N-(5-chloro-2-phenoxyphenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43924914
N-(5-chloro-2-phenoxyphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 16554809
(3S)-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305796
1-[2-(4-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43082326
(3S)-1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305506
2-[(3R)-3-methylpiperidin-1-yl]-N-(2-phenoxyphenyl)acetamide
CID 8903480
1-[2-(5-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43375570
(3R)-1-[2-oxo-2-(4-phenylanilino)ethyl]piperidine-3-carboxamide
CID 9306022
2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2-phenoxyphenyl)acetamide
CID 110877824
N-(5-chloro-2-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 2681972
(3S)-1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305453

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidine-3-carboxamide (CID 9304566) is (3R)-1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidine-3-carboxamide is NC(=O)[C@@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)C1.
What is the InChIKey of (3R)-1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidine-3-carboxamide?
The InChIKey is HYIIZAIEMZSRQP-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c21-15-8-9-18(27-16-6-2-1-3-7-16)17(11-15)23-19(25)13-24-10-4-5-14(12-24)20(22)26/h1-3,6-9,11,14H,4-5,10,12-13H2,(H2,22,26)(H,23,25)/t14-/m1/s1.
What are the key properties of (3R)-1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidine-3-carboxamide?
(3R)-1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidine-3-carboxamide has a molecular weight of 387.87 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidine-3-carboxamide is sourced from PubChem (CID 9304566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).