N-[1-(2-methoxyphenyl)piperidin-3-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C23H29N3O3S — CID 86965741

IUPACN-[1-(2-methoxyphenyl)piperidin-3-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCOc1ccccc1N1CCCC(NC(=O)C2CCCN(C(=O)c3cccs3)C2)C1
InChIInChI=1S/C23H29N3O3S/c1-29-20-10-3-2-9-19(20)25-12-5-8-18(16-25)24-22(27)17-7-4-13-26(15-17)23(28)21-11-6-14-30-21/h2-3,6,9-11,14,17-18H,4-5,7-8,12-13,15-16H2,1H3,(H,24,27)
InChIKeyXUTBCJLKATYSRQ-UHFFFAOYSA-N
MW427.57 g/mol
LogP3.39
Rot. Bonds5

About N-[1-(2-methoxyphenyl)piperidin-3-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

N-[1-(2-methoxyphenyl)piperidin-3-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 86965741) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)piperidin-3-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)piperidin-3-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID86965741
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC NameN-[1-(2-methoxyphenyl)piperidin-3-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCOc1ccccc1N1CCCC(NC(=O)C2CCCN(C(=O)c3cccs3)C2)C1
InChIInChI=1S/C23H29N3O3S/c1-29-20-10-3-2-9-19(20)25-12-5-8-18(16-25)24-22(27)17-7-4-13-26(15-17)23(28)21-11-6-14-30-21/h2-3,6,9-11,14,17-18H,4-5,7-8,12-13,15-16H2,1H3,(H,24,27)
InChIKeyXUTBCJLKATYSRQ-UHFFFAOYSA-N
XLogP3.39
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-methoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55559806
2-hydroxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]cyclopentane-1-carboxamide
CID 110015870
N-[4-[[1-(2-methoxyphenyl)piperidin-3-yl]amino]-4-oxobutyl]thiophene-2-carboxamide
CID 86965609
(3S)-N-[(1S,2R)-2-methylcyclohexyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 124743109
(3S)-N-[(1R,2R)-2-methylcyclohexyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 124743110
N-(2-methoxy-5-methylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55558789
1-(thiophene-2-carbonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 46556807
(3R)-1-(thiophene-2-carbonyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-3-carboxamide
CID 30787670
N-cyclododecyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511039
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
N-pyridin-2-yl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053443
(3R)-N-pyridin-2-yl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 30784713

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)piperidin-3-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[1-(2-methoxyphenyl)piperidin-3-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 86965741) is N-[1-(2-methoxyphenyl)piperidin-3-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)piperidin-3-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)piperidin-3-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is COc1ccccc1N1CCCC(NC(=O)C2CCCN(C(=O)c3cccs3)C2)C1.
What is the InChIKey of N-[1-(2-methoxyphenyl)piperidin-3-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is XUTBCJLKATYSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-29-20-10-3-2-9-19(20)25-12-5-8-18(16-25)24-22(27)17-7-4-13-26(15-17)23(28)21-11-6-14-30-21/h2-3,6,9-11,14,17-18H,4-5,7-8,12-13,15-16H2,1H3,(H,24,27).
What are the key properties of N-[1-(2-methoxyphenyl)piperidin-3-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
N-[1-(2-methoxyphenyl)piperidin-3-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 427.57 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)piperidin-3-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 86965741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).