N-[1-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]benzamide

C23H27N3O3S — CID 42892598

IUPACN-[1-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)C2CCCN(C(=O)c3cccs3)C2)CC1)c1ccccc1
InChIInChI=1S/C23H27N3O3S/c27-21(17-6-2-1-3-7-17)24-19-10-13-25(14-11-19)22(28)18-8-4-12-26(16-18)23(29)20-9-5-15-30-20/h1-3,5-7,9,15,18-19H,4,8,10-14,16H2,(H,24,27)
InChIKeyBRCMHPBJSYZCTP-UHFFFAOYSA-N
MW425.55 g/mol
LogP3.02
Rot. Bonds4

About N-[1-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]benzamide

N-[1-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]benzamide (PubChem CID 42892598) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is N-[1-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]benzamide
PubChem CID42892598
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC NameN-[1-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)C2CCCN(C(=O)c3cccs3)C2)CC1)c1ccccc1
InChIInChI=1S/C23H27N3O3S/c27-21(17-6-2-1-3-7-17)24-19-10-13-25(14-11-19)22(28)18-8-4-12-26(16-18)23(29)20-9-5-15-30-20/h1-3,5-7,9,15,18-19H,4,8,10-14,16H2,(H,24,27)
InChIKeyBRCMHPBJSYZCTP-UHFFFAOYSA-N
XLogP3.02
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 46454753
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
[4-(2-hydroxyphenyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 43053394
tert-butyl 3-(4-benzamidopiperidine-1-carbonyl)piperidine-1-carboxylate
CID 24575440
[4-(4-fluorobenzoyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 38390032
[4-(4-fluorobenzoyl)piperazin-1-yl]-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 38390036
piperidin-1-yl-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
CID 90510983
N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 53016414
[4-(2-fluorophenyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 25348569
[4-(2-methylpropyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 134034140
[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 33172007
(3R)-1-(thiophene-2-carbonyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-3-carboxamide
CID 30787670

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]benzamide (CID 42892598) is N-[1-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]benzamide is O=C(NC1CCN(C(=O)C2CCCN(C(=O)c3cccs3)C2)CC1)c1ccccc1.
What is the InChIKey of N-[1-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]benzamide?
The InChIKey is BRCMHPBJSYZCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c27-21(17-6-2-1-3-7-17)24-19-10-13-25(14-11-19)22(28)18-8-4-12-26(16-18)23(29)20-9-5-15-30-20/h1-3,5-7,9,15,18-19H,4,8,10-14,16H2,(H,24,27).
What are the key properties of N-[1-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]benzamide?
N-[1-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]benzamide has a molecular weight of 425.55 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 42892598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).