2-chloro-N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]benzamide

C24H29ClN2O3 — CID 108550822

IUPAC2-chloro-N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]benzamide
SMILESCc1cccc(C)c1OCCCC(=O)N1CCC(NC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C24H29ClN2O3/c1-17-7-5-8-18(2)23(17)30-16-6-11-22(28)27-14-12-19(13-15-27)26-24(29)20-9-3-4-10-21(20)25/h3-5,7-10,19H,6,11-16H2,1-2H3,(H,26,29)
InChIKeyBHKFURBKUZUXAS-UHFFFAOYSA-N
MW428.96 g/mol
LogP4.54
Rot. Bonds7

About 2-chloro-N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]benzamide

2-chloro-N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]benzamide (PubChem CID 108550822) has the molecular formula C24H29ClN2O3 and a molecular weight of 428.96 g/mol. Its IUPAC name is 2-chloro-N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]benzamide
PubChem CID108550822
Molecular FormulaC24H29ClN2O3
Molecular Weight428.96 g/mol
Exact Mass428.19
IUPAC Name2-chloro-N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]benzamide
SMILESCc1cccc(C)c1OCCCC(=O)N1CCC(NC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C24H29ClN2O3/c1-17-7-5-8-18(2)23(17)30-16-6-11-22(28)27-14-12-19(13-15-27)26-24(29)20-9-3-4-10-21(20)25/h3-5,7-10,19H,6,11-16H2,1-2H3,(H,26,29)
InChIKeyBHKFURBKUZUXAS-UHFFFAOYSA-N
XLogP4.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dichloro-N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]acetamide
CID 108565365
N-[1-[4-(4-chloro-3-methylphenoxy)butanoyl]piperidin-4-yl]-2-methylbenzamide
CID 39512383
N-(1-butanoylpiperidin-4-yl)-2-chlorobenzamide
CID 110819269
3-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]-1,1-dimethylurea
CID 108565372
2,5-dichloro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108554600
N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 108548470
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-2-sulfanylbenzamide
CID 108554712
2-fluoro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108549364
prop-2-enyl N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]carbamate
CID 108565374
2-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 39512486
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide
CID 108565449
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-4-(2,6-dimethylphenoxy)butanamide
CID 108561132

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]benzamide (CID 108550822) is 2-chloro-N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]benzamide is Cc1cccc(C)c1OCCCC(=O)N1CCC(NC(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 2-chloro-N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]benzamide?
The InChIKey is BHKFURBKUZUXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O3/c1-17-7-5-8-18(2)23(17)30-16-6-11-22(28)27-14-12-19(13-15-27)26-24(29)20-9-3-4-10-21(20)25/h3-5,7-10,19H,6,11-16H2,1-2H3,(H,26,29).
What are the key properties of 2-chloro-N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]benzamide?
2-chloro-N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]benzamide has a molecular weight of 428.96 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 108550822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).