1-[1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide

C24H33N3O3 — CID 26395456

IUPAC1-[1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCc1cc2cc(C(=O)N3CCC(N4CCC(C(=O)NC(C)C)CC4)CC3)ccc2o1
InChIInChI=1S/C24H33N3O3/c1-16(2)25-23(28)18-6-10-26(11-7-18)21-8-12-27(13-9-21)24(29)19-4-5-22-20(15-19)14-17(3)30-22/h4-5,14-16,18,21H,6-13H2,1-3H3,(H,25,28)
InChIKeyQWJJONFEYUHEBP-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.58
Rot. Bonds4

About 1-[1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide

1-[1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 26395456) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 1-[1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID26395456
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name1-[1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCc1cc2cc(C(=O)N3CCC(N4CCC(C(=O)NC(C)C)CC4)CC3)ccc2o1
InChIInChI=1S/C24H33N3O3/c1-16(2)25-23(28)18-6-10-26(11-7-18)21-8-12-27(13-9-21)24(29)19-4-5-22-20(15-19)14-17(3)30-22/h4-5,14-16,18,21H,6-13H2,1-3H3,(H,25,28)
InChIKeyQWJJONFEYUHEBP-UHFFFAOYSA-N
XLogP3.58
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzoyl-N-[N'-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]piperidine-4-carboxamide
CID 142011552
1-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 42114058
[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 110259339
N-cyclopropyl-1-[1-(3-methylbenzoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42395399
1-(5-methyl-1,2-oxazole-3-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 91953940
N-propan-2-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 17440941
N-[(1S)-1-(5-chloro-1-benzofuran-2-yl)ethyl]-1-(1-methylpiperidin-4-yl)piperidine-4-carboxamide
CID 51592266
1-(1-ethyl-2,3-dimethylindole-5-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 91953916
1-[1-[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 26400088
N-propan-2-yl-1-(1-propan-2-ylpiperidin-4-yl)piperidine-4-carboxamide
CID 28955653
1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 42881491
1-(1,1-dioxothiolan-3-yl)-N-(2-methyl-1-benzofuran-5-yl)piperidine-4-carboxamide
CID 131924095

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide (CID 26395456) is 1-[1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide is Cc1cc2cc(C(=O)N3CCC(N4CCC(C(=O)NC(C)C)CC4)CC3)ccc2o1.
What is the InChIKey of 1-[1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is QWJJONFEYUHEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-16(2)25-23(28)18-6-10-26(11-7-18)21-8-12-27(13-9-21)24(29)19-4-5-22-20(15-19)14-17(3)30-22/h4-5,14-16,18,21H,6-13H2,1-3H3,(H,25,28).
What are the key properties of 1-[1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide?
1-[1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 26395456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).