N-phenyl-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidine-1-carboxamide

C26H27N3O2S — CID 42896733

IUPACN-phenyl-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(C(=O)N2CCc3sccc3C2c2ccccc2)CC1
InChIInChI=1S/C26H27N3O2S/c30-25(20-11-15-28(16-12-20)26(31)27-21-9-5-2-6-10-21)29-17-13-23-22(14-18-32-23)24(29)19-7-3-1-4-8-19/h1-10,14,18,20,24H,11-13,15-17H2,(H,27,31)
InChIKeyKYROQKYPANPYNB-UHFFFAOYSA-N
MW445.59 g/mol
LogP5.17
Rot. Bonds3

About N-phenyl-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidine-1-carboxamide

N-phenyl-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidine-1-carboxamide (PubChem CID 42896733) has the molecular formula C26H27N3O2S and a molecular weight of 445.59 g/mol. Its IUPAC name is N-phenyl-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidine-1-carboxamide
PubChem CID42896733
Molecular FormulaC26H27N3O2S
Molecular Weight445.59 g/mol
Exact Mass445.18
IUPAC NameN-phenyl-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(C(=O)N2CCc3sccc3C2c2ccccc2)CC1
InChIInChI=1S/C26H27N3O2S/c30-25(20-11-15-28(16-12-20)26(31)27-21-9-5-2-6-10-21)29-17-13-23-22(14-18-32-23)24(29)19-7-3-1-4-8-19/h1-10,14,18,20,24H,11-13,15-17H2,(H,27,31)
InChIKeyKYROQKYPANPYNB-UHFFFAOYSA-N
XLogP5.17
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.59
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-1-[4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]propan-1-one
CID 46410125
oxan-4-yl-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 51073766
(4R)-N-(4-fluorophenyl)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 51925621
4-(4-chlorophenyl)-N-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 57325683
(4R)-N-(3-chlorophenyl)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 51925619
(4R)-N-phenyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 6976196
cyclopropyl-[(4S)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 7349676
[(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
4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 37332907
4-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 37332906
N-phenyl-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 25479842
N-(3-chloro-4-methylphenyl)-4-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]piperazine-1-carboxamide
CID 136576170

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidine-1-carboxamide?
The IUPAC name of N-phenyl-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidine-1-carboxamide (CID 42896733) is N-phenyl-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidine-1-carboxamide.
What is the SMILES notation for N-phenyl-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidine-1-carboxamide?
The canonical SMILES for N-phenyl-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidine-1-carboxamide is O=C(Nc1ccccc1)N1CCC(C(=O)N2CCc3sccc3C2c2ccccc2)CC1.
What is the InChIKey of N-phenyl-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidine-1-carboxamide?
The InChIKey is KYROQKYPANPYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2S/c30-25(20-11-15-28(16-12-20)26(31)27-21-9-5-2-6-10-21)29-17-13-23-22(14-18-32-23)24(29)19-7-3-1-4-8-19/h1-10,14,18,20,24H,11-13,15-17H2,(H,27,31).
What are the key properties of N-phenyl-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidine-1-carboxamide?
N-phenyl-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidine-1-carboxamide has a molecular weight of 445.59 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidine-1-carboxamide is sourced from PubChem (CID 42896733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).