N-(5-chloro-2-methoxyphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide

C21H25ClN2O3 — CID 90505566

IUPACN-(5-chloro-2-methoxyphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)N1CCCC(COCc2ccccc2)C1
InChIInChI=1S/C21H25ClN2O3/c1-26-20-10-9-18(22)12-19(20)23-21(25)24-11-5-8-17(13-24)15-27-14-16-6-3-2-4-7-16/h2-4,6-7,9-10,12,17H,5,8,11,13-15H2,1H3,(H,23,25)
InChIKeyCIYZNDUWHICVHH-UHFFFAOYSA-N
MW388.90 g/mol
LogP4.81
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide

N-(5-chloro-2-methoxyphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide (PubChem CID 90505566) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide
PubChem CID90505566
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)N1CCCC(COCc2ccccc2)C1
InChIInChI=1S/C21H25ClN2O3/c1-26-20-10-9-18(22)12-19(20)23-21(25)24-11-5-8-17(13-24)15-27-14-16-6-3-2-4-7-16/h2-4,6-7,9-10,12,17H,5,8,11,13-15H2,1H3,(H,23,25)
InChIKeyCIYZNDUWHICVHH-UHFFFAOYSA-N
XLogP4.81
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(5-chloro-2-methoxyphenyl)-3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
CID 97435778
(3S)-1-[(5-chloro-2-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121106
(3,4-dimethoxyphenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone
CID 90505153
N-(4-methylphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide
CID 90505534
N-(5-chloro-2-methoxyphenyl)-4-(methoxymethyl)piperidine-1-carboxamide
CID 121091740
(3R)-N-(5-chloro-2-methoxyphenyl)-3-(imidazo[4,5-b]pyridin-3-ylmethyl)piperidine-1-carboxamide
CID 99747517
(3R)-N-(5-chloro-2-methoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430962
(3R)-N-(5-chloro-2-methoxyphenyl)-3-morpholin-4-ylpiperidine-1-carboxamide
CID 25302330
N-(5-chloro-2-methoxyphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110122
N-(5-chloro-2-methoxyphenyl)-3-[(3S)-1-(2-methylbenzoyl)piperidin-3-yl]propanamide
CID 42193450
(3S)-3-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 97278510
methyl 4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperazine-1-carboxylate
CID 108875630

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide (CID 90505566) is N-(5-chloro-2-methoxyphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide is COc1ccc(Cl)cc1NC(=O)N1CCCC(COCc2ccccc2)C1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide?
The InChIKey is CIYZNDUWHICVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-26-20-10-9-18(22)12-19(20)23-21(25)24-11-5-8-17(13-24)15-27-14-16-6-3-2-4-7-16/h2-4,6-7,9-10,12,17H,5,8,11,13-15H2,1H3,(H,23,25).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide?
N-(5-chloro-2-methoxyphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide has a molecular weight of 388.90 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 90505566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).