1-(3-methoxybenzoyl)-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide

C23H28N2O4 — CID 113007631

IUPAC1-(3-methoxybenzoyl)-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide
SMILESCOc1cccc(C(=O)N2CCC(C(=O)Nc3ccccc3OC(C)C)CC2)c1
InChIInChI=1S/C23H28N2O4/c1-16(2)29-21-10-5-4-9-20(21)24-22(26)17-11-13-25(14-12-17)23(27)18-7-6-8-19(15-18)28-3/h4-10,15-17H,11-14H2,1-3H3,(H,24,26)
InChIKeyGFCPPYYICVFIOM-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.97
Rot. Bonds6

About 1-(3-methoxybenzoyl)-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide

1-(3-methoxybenzoyl)-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide (PubChem CID 113007631) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-(3-methoxybenzoyl)-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-methoxybenzoyl)-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide
PubChem CID113007631
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name1-(3-methoxybenzoyl)-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide
SMILESCOc1cccc(C(=O)N2CCC(C(=O)Nc3ccccc3OC(C)C)CC2)c1
InChIInChI=1S/C23H28N2O4/c1-16(2)29-21-10-5-4-9-20(21)24-22(26)17-11-13-25(14-12-17)23(27)18-7-6-8-19(15-18)28-3/h4-10,15-17H,11-14H2,1-3H3,(H,24,26)
InChIKeyGFCPPYYICVFIOM-UHFFFAOYSA-N
XLogP3.97
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113007539
N-(2-chlorophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113007109
N-(2-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 1245576
N-(2-propan-2-yloxyphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 39499134
N-(2-methoxyphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 38646202
1-(3-cyanobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 38646862
N-(2-methoxyphenyl)-1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidine-4-carboxamide
CID 33339548
1-[3-(cyclohexanecarbonylamino)benzoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 33342519
methyl 4-[[1-(3-methoxybenzoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008009
N-(4-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 39355313
1-(3,5-dimethoxy-4-methylbenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 33336070
N-(2-aminophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 119422420

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxybenzoyl)-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-methoxybenzoyl)-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide (CID 113007631) is 1-(3-methoxybenzoyl)-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-methoxybenzoyl)-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-methoxybenzoyl)-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide is COc1cccc(C(=O)N2CCC(C(=O)Nc3ccccc3OC(C)C)CC2)c1.
What is the InChIKey of 1-(3-methoxybenzoyl)-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide?
The InChIKey is GFCPPYYICVFIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-16(2)29-21-10-5-4-9-20(21)24-22(26)17-11-13-25(14-12-17)23(27)18-7-6-8-19(15-18)28-3/h4-10,15-17H,11-14H2,1-3H3,(H,24,26).
What are the key properties of 1-(3-methoxybenzoyl)-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide?
1-(3-methoxybenzoyl)-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxybenzoyl)-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 113007631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).