1-(5-chloro-2-propoxybenzoyl)-N-methylpiperidine-3-carboxamide

C17H23ClN2O3 — CID 71977674

IUPAC1-(5-chloro-2-propoxybenzoyl)-N-methylpiperidine-3-carboxamide
SMILESCCCOc1ccc(Cl)cc1C(=O)N1CCCC(C(=O)NC)C1
InChIInChI=1S/C17H23ClN2O3/c1-3-9-23-15-7-6-13(18)10-14(15)17(22)20-8-4-5-12(11-20)16(21)19-2/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,19,21)
InChIKeyHLXNJXKAIQNUFR-UHFFFAOYSA-N
MW338.84 g/mol
LogP2.73
Rot. Bonds5

About 1-(5-chloro-2-propoxybenzoyl)-N-methylpiperidine-3-carboxamide

1-(5-chloro-2-propoxybenzoyl)-N-methylpiperidine-3-carboxamide (PubChem CID 71977674) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.84 g/mol. Its IUPAC name is 1-(5-chloro-2-propoxybenzoyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-propoxybenzoyl)-N-methylpiperidine-3-carboxamide
PubChem CID71977674
Molecular FormulaC17H23ClN2O3
Molecular Weight338.84 g/mol
Exact Mass338.14
IUPAC Name1-(5-chloro-2-propoxybenzoyl)-N-methylpiperidine-3-carboxamide
SMILESCCCOc1ccc(Cl)cc1C(=O)N1CCCC(C(=O)NC)C1
InChIInChI=1S/C17H23ClN2O3/c1-3-9-23-15-7-6-13(18)10-14(15)17(22)20-8-4-5-12(11-20)16(21)19-2/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,19,21)
InChIKeyHLXNJXKAIQNUFR-UHFFFAOYSA-N
XLogP2.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(5-chloro-2-propoxybenzoyl)piperidine-3-carboxylic acid
CID 119173685
(3R)-1-(5-chloro-2-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 156560476
(3S)-1-[5-chloro-2-(2-methoxyethoxy)benzoyl]piperidine-3-carboxylic acid
CID 120684515
(5-chloro-2-propoxyphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 71973264
[5-chloro-2-(2-methoxyethoxy)phenyl]-[(3S)-3-(methylaminomethyl)piperidin-1-yl]methanone
CID 124686339
(3S)-1-(5-chloro-2-methoxybenzoyl)-N-(1-sulfanylethyl)piperidine-3-carboxamide
CID 145184497
(5-chloro-2-propoxyphenyl)-(1,4-diazepan-1-yl)methanone;hydrochloride
CID 119414568
(5-chloro-2-propoxyphenyl)-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone
CID 166269754
1-(5-chloro-2-methoxybenzoyl)-N-(4,4-dimethyl-2-oxopentyl)piperidine-3-carboxamide
CID 155371251
(3R)-1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 9003807
1-[4-[4-chloro-2-(3-propoxypiperidine-1-carbonyl)phenoxy]piperidin-1-yl]ethanone
CID 45202036
N-(2-aminoethyl)-1-(3-ethoxy-4-propoxybenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481384

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-propoxybenzoyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(5-chloro-2-propoxybenzoyl)-N-methylpiperidine-3-carboxamide (CID 71977674) is 1-(5-chloro-2-propoxybenzoyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-propoxybenzoyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(5-chloro-2-propoxybenzoyl)-N-methylpiperidine-3-carboxamide is CCCOc1ccc(Cl)cc1C(=O)N1CCCC(C(=O)NC)C1.
What is the InChIKey of 1-(5-chloro-2-propoxybenzoyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is HLXNJXKAIQNUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c1-3-9-23-15-7-6-13(18)10-14(15)17(22)20-8-4-5-12(11-20)16(21)19-2/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,19,21).
What are the key properties of 1-(5-chloro-2-propoxybenzoyl)-N-methylpiperidine-3-carboxamide?
1-(5-chloro-2-propoxybenzoyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 338.84 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-propoxybenzoyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 71977674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).