4-[1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide

C22H26ClN3O3 — CID 53057885

IUPAC4-[1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)C(C)C2CCN(C(=O)Nc3ccccc3)CC2)cc1Cl
InChIInChI=1S/C22H26ClN3O3/c1-15(21(27)24-18-8-9-20(29-2)19(23)14-18)16-10-12-26(13-11-16)22(28)25-17-6-4-3-5-7-17/h3-9,14-16H,10-13H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyJUHSHELNQYUDLL-UHFFFAOYSA-N
MW415.92 g/mol
LogP4.87
Rot. Bonds5

About 4-[1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide

4-[1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide (PubChem CID 53057885) has the molecular formula C22H26ClN3O3 and a molecular weight of 415.92 g/mol. Its IUPAC name is 4-[1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide
PubChem CID53057885
Molecular FormulaC22H26ClN3O3
Molecular Weight415.92 g/mol
Exact Mass415.17
IUPAC Name4-[1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)C(C)C2CCN(C(=O)Nc3ccccc3)CC2)cc1Cl
InChIInChI=1S/C22H26ClN3O3/c1-15(21(27)24-18-8-9-20(29-2)19(23)14-18)16-10-12-26(13-11-16)22(28)25-17-6-4-3-5-7-17/h3-9,14-16H,10-13H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyJUHSHELNQYUDLL-UHFFFAOYSA-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

4-[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide
CID 95065335
N-(4-chlorophenyl)-4-[1-(2-methoxyanilino)-1-oxopropan-2-yl]piperidine-1-carboxamide
CID 53057939
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
(3S)-3-N-(3-chloro-4-methoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 26586333
4-[1-(2-chloroanilino)-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 53057970
4-[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 95065357
N-(3-chloro-4-methoxyphenyl)-4-ethylpiperazine-1-carboxamide
CID 108988526
4-[1-(4-acetylanilino)-1-oxopropan-2-yl]-N-(4-chlorophenyl)piperidine-1-carboxamide
CID 46295328
N-(3-chloro-4-methoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113103998
N-(3-chloro-4-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111442952
N-(3-chloro-4-methoxyphenyl)-2-(phenylcarbamoylamino)propanamide
CID 51143820

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide (CID 53057885) is 4-[1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide is COc1ccc(NC(=O)C(C)C2CCN(C(=O)Nc3ccccc3)CC2)cc1Cl.
What is the InChIKey of 4-[1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is JUHSHELNQYUDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O3/c1-15(21(27)24-18-8-9-20(29-2)19(23)14-18)16-10-12-26(13-11-16)22(28)25-17-6-4-3-5-7-17/h3-9,14-16H,10-13H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 4-[1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide?
4-[1-(3-chloro-4-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-[1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 53057885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).