4-[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide

C22H26ClN3O3 — CID 95065335

IUPAC4-[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)[C@@H](C)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H26ClN3O3/c1-15(21(27)25-19-14-17(23)8-9-20(19)29-2)16-10-12-26(13-11-16)22(28)24-18-6-4-3-5-7-18/h3-9,14-16H,10-13H2,1-2H3,(H,24,28)(H,25,27)/t15-/m0/s1
InChIKeyMXZRBMSJWGZEJJ-HNNXBMFYSA-N
MW415.92 g/mol
LogP4.87
Rot. Bonds5

About 4-[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide

4-[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide (PubChem CID 95065335) has the molecular formula C22H26ClN3O3 and a molecular weight of 415.92 g/mol. Its IUPAC name is 4-[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide
PubChem CID95065335
Molecular FormulaC22H26ClN3O3
Molecular Weight415.92 g/mol
Exact Mass415.17
IUPAC Name4-[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)[C@@H](C)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H26ClN3O3/c1-15(21(27)25-19-14-17(23)8-9-20(19)29-2)16-10-12-26(13-11-16)22(28)24-18-6-4-3-5-7-18/h3-9,14-16H,10-13H2,1-2H3,(H,24,28)(H,25,27)/t15-/m0/s1
InChIKeyMXZRBMSJWGZEJJ-HNNXBMFYSA-N
XLogP4.87
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-4-[1-(2-methoxyanilino)-1-oxopropan-2-yl]piperidine-1-carboxamide
CID 53057939
4-[1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide
CID 53057885
4-[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide
CID 95065297
4-[(2S)-1-(2-chloro-4-methylanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide
CID 95065281
5-[1-[(5-chloro-2-methoxyphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 50816533
N-(4-chlorophenyl)-4-[1-(2,4-dimethylanilino)-1-oxopropan-2-yl]piperidine-1-carboxamide
CID 53057941
N-(4-chlorophenyl)-4-[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl]piperidine-1-carboxamide
CID 95065411
4-[1-(2-chloroanilino)-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 53057970
(3R)-N-(5-chloro-2-methoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430962
4-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 95065481
4-benzhydryl-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide
CID 2956120
N-(5-chloro-2-methoxyphenyl)-4-(methoxymethyl)piperidine-1-carboxamide
CID 121091740

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide (CID 95065335) is 4-[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide is COc1ccc(Cl)cc1NC(=O)[C@@H](C)C1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is MXZRBMSJWGZEJJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H26ClN3O3/c1-15(21(27)25-19-14-17(23)8-9-20(19)29-2)16-10-12-26(13-11-16)22(28)24-18-6-4-3-5-7-18/h3-9,14-16H,10-13H2,1-2H3,(H,24,28)(H,25,27)/t15-/m0/s1.
What are the key properties of 4-[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide?
4-[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 415.92 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 95065335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).