N-(1-benzylpiperidin-4-yl)-5-[1-[4-(1,1-difluoroethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide;molecular hydrogen

C31H38F2N4O2 — CID 143807389

IUPACN-(1-benzylpiperidin-4-yl)-5-[1-[4-(1,1-difluoroethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide;molecular hydrogen
SMILESCC(F)(F)c1ccc(N2CCC(Oc3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)nc3)CC2)cc1.[H][H]
InChIInChI=1S/C31H36F2N4O2.H2/c1-31(32,33)24-7-9-26(10-8-24)37-19-15-27(16-20-37)39-28-11-12-29(34-21-28)30(38)35-25-13-17-36(18-14-25)22-23-5-3-2-4-6-23;/h2-12,21,25,27H,13-20,22H2,1H3,(H,35,38);1H
InChIKeyUMMGMTSQPKZWKE-UHFFFAOYSA-N
MW536.67 g/mol
LogP5.88
Rot. Bonds8

About N-(1-benzylpiperidin-4-yl)-5-[1-[4-(1,1-difluoroethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide;molecular hydrogen

N-(1-benzylpiperidin-4-yl)-5-[1-[4-(1,1-difluoroethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide;molecular hydrogen (PubChem CID 143807389) has the molecular formula C31H38F2N4O2 and a molecular weight of 536.67 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-5-[1-[4-(1,1-difluoroethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-5-[1-[4-(1,1-difluoroethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide;molecular hydrogen
PubChem CID143807389
Molecular FormulaC31H38F2N4O2
Molecular Weight536.67 g/mol
Exact Mass536.30
IUPAC NameN-(1-benzylpiperidin-4-yl)-5-[1-[4-(1,1-difluoroethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide;molecular hydrogen
SMILESCC(F)(F)c1ccc(N2CCC(Oc3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)nc3)CC2)cc1.[H][H]
InChIInChI=1S/C31H36F2N4O2.H2/c1-31(32,33)24-7-9-26(10-8-24)37-19-15-27(16-20-37)39-28-11-12-29(34-21-28)30(38)35-25-13-17-36(18-14-25)22-23-5-3-2-4-6-23;/h2-12,21,25,27H,13-20,22H2,1H3,(H,35,38);1H
InChIKeyUMMGMTSQPKZWKE-UHFFFAOYSA-N
XLogP5.88
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.67
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-chloro-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide
CID 24995350
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1-[5-[1-[4-(1,1-difluoroethyl)phenyl]piperidin-4-yl]oxy-2-pyridinyl]-3-[(3R)-pyrrolidin-3-yl]propan-1-one
CID 162586326
5-(4-benzylpiperazin-1-yl)-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide
CID 66710221
2-methyl-4-[[4-[[6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-carbonyl]amino]piperidin-1-yl]methyl]benzoic acid
CID 118250062
(2R,6R)-N-(1-benzylpiperidin-4-yl)-2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 166704671
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide
CID 66710706
N-(1-benzylpiperidin-4-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 46488361
5-[4-(4-methylsulfonylphenoxy)piperidine-1-carbonyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyridine-2-carboxamide
CID 134300171
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
5-(4-benzylpiperazine-1-carbonyl)-N-(1-benzylpiperidin-4-yl)pyridine-2-carboxamide
CID 56650667
N-[2-iodo-1-(pyridin-4-ylmethyl)piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-5-[1-[4-(1,1-difluoroethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide;molecular hydrogen?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-5-[1-[4-(1,1-difluoroethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide;molecular hydrogen (CID 143807389) is N-(1-benzylpiperidin-4-yl)-5-[1-[4-(1,1-difluoroethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-5-[1-[4-(1,1-difluoroethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide;molecular hydrogen?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-5-[1-[4-(1,1-difluoroethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide;molecular hydrogen is CC(F)(F)c1ccc(N2CCC(Oc3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)nc3)CC2)cc1.[H][H].
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-5-[1-[4-(1,1-difluoroethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide;molecular hydrogen?
The InChIKey is UMMGMTSQPKZWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36F2N4O2.H2/c1-31(32,33)24-7-9-26(10-8-24)37-19-15-27(16-20-37)39-28-11-12-29(34-21-28)30(38)35-25-13-17-36(18-14-25)22-23-5-3-2-4-6-23;/h2-12,21,25,27H,13-20,22H2,1H3,(H,35,38);1H.
What are the key properties of N-(1-benzylpiperidin-4-yl)-5-[1-[4-(1,1-difluoroethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide;molecular hydrogen?
N-(1-benzylpiperidin-4-yl)-5-[1-[4-(1,1-difluoroethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide;molecular hydrogen has a molecular weight of 536.67 g/mol, XLogP of 5.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-5-[1-[4-(1,1-difluoroethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 143807389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).