N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methylsulfonylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide

C33H38N4O6S — CID 66710292

IUPACN-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methylsulfonylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
SMILESCOc1ccc(CN2CCC(NC(=O)c3ccc(C(=O)N4CCC(C(=O)c5ccc(S(C)(=O)=O)cc5)CC4)nc3)CC2)cc1
InChIInChI=1S/C33H38N4O6S/c1-43-28-8-3-23(4-9-28)22-36-17-15-27(16-18-36)35-32(39)26-7-12-30(34-21-26)33(40)37-19-13-25(14-20-37)31(38)24-5-10-29(11-6-24)44(2,41)42/h3-12,21,25,27H,13-20,22H2,1-2H3,(H,35,39)
InChIKeyLQCGDAYXUKPYRS-UHFFFAOYSA-N
MW618.76 g/mol
LogP3.62
Rot. Bonds9

About N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methylsulfonylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide

N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methylsulfonylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide (PubChem CID 66710292) has the molecular formula C33H38N4O6S and a molecular weight of 618.76 g/mol. Its IUPAC name is N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methylsulfonylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methylsulfonylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
PubChem CID66710292
Molecular FormulaC33H38N4O6S
Molecular Weight618.76 g/mol
Exact Mass618.25
IUPAC NameN-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methylsulfonylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
SMILESCOc1ccc(CN2CCC(NC(=O)c3ccc(C(=O)N4CCC(C(=O)c5ccc(S(C)(=O)=O)cc5)CC4)nc3)CC2)cc1
InChIInChI=1S/C33H38N4O6S/c1-43-28-8-3-23(4-9-28)22-36-17-15-27(16-18-36)35-32(39)26-7-12-30(34-21-26)33(40)37-19-13-25(14-20-37)31(38)24-5-10-29(11-6-24)44(2,41)42/h3-12,21,25,27H,13-20,22H2,1-2H3,(H,35,39)
InChIKeyLQCGDAYXUKPYRS-UHFFFAOYSA-N
XLogP3.62
TPSA125.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500618.76
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 66710469
6-[4-(4-methylsulfonylbenzoyl)piperidine-1-carbonyl]-N-piperidin-4-ylpyridine-3-carboxamide
CID 123912499
N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methylphenoxy)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 146676198
6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 66710665
N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxy-2-nitrosobenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 88583356
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-[4-(4-methylsulfonylphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide
CID 66710372
6-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 123884987
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1-[6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone
CID 58073222
5-[4-(4-methylsulfonylphenoxy)piperidine-1-carbonyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-2-carboxamide
CID 134300171
N-[(3S,4S)-3-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-5-[4-(4-methylsulfonylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide
CID 66710536
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide
CID 66710706
1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanone
CID 58073229

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methylsulfonylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?
The IUPAC name of N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methylsulfonylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide (CID 66710292) is N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methylsulfonylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methylsulfonylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methylsulfonylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide is COc1ccc(CN2CCC(NC(=O)c3ccc(C(=O)N4CCC(C(=O)c5ccc(S(C)(=O)=O)cc5)CC4)nc3)CC2)cc1.
What is the InChIKey of N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methylsulfonylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?
The InChIKey is LQCGDAYXUKPYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N4O6S/c1-43-28-8-3-23(4-9-28)22-36-17-15-27(16-18-36)35-32(39)26-7-12-30(34-21-26)33(40)37-19-13-25(14-20-37)31(38)24-5-10-29(11-6-24)44(2,41)42/h3-12,21,25,27H,13-20,22H2,1-2H3,(H,35,39).
What are the key properties of N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methylsulfonylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?
N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methylsulfonylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide has a molecular weight of 618.76 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methylsulfonylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide is sourced from PubChem (CID 66710292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).