N-(3-chloro-4-methoxyphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide

C22H25ClN2O5 — CID 126029508

IUPACN-(3-chloro-4-methoxyphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(C(=O)c3c(OC)cccc3OC)CC2)cc1Cl
InChIInChI=1S/C22H25ClN2O5/c1-28-17-8-7-15(13-16(17)23)24-21(26)14-9-11-25(12-10-14)22(27)20-18(29-2)5-4-6-19(20)30-3/h4-8,13-14H,9-12H2,1-3H3,(H,24,26)
InChIKeyIGGSBDOCTAWMKS-UHFFFAOYSA-N
MW432.90 g/mol
LogP3.86
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide

N-(3-chloro-4-methoxyphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide (PubChem CID 126029508) has the molecular formula C22H25ClN2O5 and a molecular weight of 432.90 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide
PubChem CID126029508
Molecular FormulaC22H25ClN2O5
Molecular Weight432.90 g/mol
Exact Mass432.15
IUPAC NameN-(3-chloro-4-methoxyphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(C(=O)c3c(OC)cccc3OC)CC2)cc1Cl
InChIInChI=1S/C22H25ClN2O5/c1-28-17-8-7-15(13-16(17)23)24-21(26)14-9-11-25(12-10-14)22(27)20-18(29-2)5-4-6-19(20)30-3/h4-8,13-14H,9-12H2,1-3H3,(H,24,26)
InChIKeyIGGSBDOCTAWMKS-UHFFFAOYSA-N
XLogP3.86
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.90
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113007389
1-(2,6-dimethoxybenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113006125
1-(4-bromobenzoyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 2192257
N-(3-chloro-4-methoxyphenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 35505478
1-(2,6-dimethoxybenzoyl)-N-(4-iodophenyl)piperidine-4-carboxamide
CID 126029057
N-(3-cyanophenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide
CID 113008763
N-(3-chloro-4-methoxyphenyl)-1-(3-methoxy-2-pyridinyl)piperidine-4-carboxamide
CID 155538729
N-(3-chloro-4-methoxyphenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859513
1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 1072838
N-(5-chloro-2-methylphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide
CID 126025508
4-amino-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide
CID 54928597
N-(3-chloro-4-methoxyphenyl)oxane-4-carboxamide
CID 31963649

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide (CID 126029508) is N-(3-chloro-4-methoxyphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(C(=O)c3c(OC)cccc3OC)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide?
The InChIKey is IGGSBDOCTAWMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O5/c1-28-17-8-7-15(13-16(17)23)24-21(26)14-9-11-25(12-10-14)22(27)20-18(29-2)5-4-6-19(20)30-3/h4-8,13-14H,9-12H2,1-3H3,(H,24,26).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide?
N-(3-chloro-4-methoxyphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide has a molecular weight of 432.90 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 126029508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).