5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[1-(1-phenylethyl)piperidin-4-yl]pyridine-2-carboxamide

C31H36FN5O2 — CID 56652713

IUPAC5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[1-(1-phenylethyl)piperidin-4-yl]pyridine-2-carboxamide
SMILESCC(c1ccccc1)N1CCC(NC(=O)c2ccc(C(=O)N3CCN(Cc4ccc(F)cc4)CC3)cn2)CC1
InChIInChI=1S/C31H36FN5O2/c1-23(25-5-3-2-4-6-25)36-15-13-28(14-16-36)34-30(38)29-12-9-26(21-33-29)31(39)37-19-17-35(18-20-37)22-24-7-10-27(32)11-8-24/h2-12,21,23,28H,13-20,22H2,1H3,(H,34,38)
InChIKeyOTTMHRBJZANTRA-UHFFFAOYSA-N
MW529.66 g/mol
LogP4.13
Rot. Bonds7

About 5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[1-(1-phenylethyl)piperidin-4-yl]pyridine-2-carboxamide

5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[1-(1-phenylethyl)piperidin-4-yl]pyridine-2-carboxamide (PubChem CID 56652713) has the molecular formula C31H36FN5O2 and a molecular weight of 529.66 g/mol. Its IUPAC name is 5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[1-(1-phenylethyl)piperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[1-(1-phenylethyl)piperidin-4-yl]pyridine-2-carboxamide
PubChem CID56652713
Molecular FormulaC31H36FN5O2
Molecular Weight529.66 g/mol
Exact Mass529.29
IUPAC Name5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[1-(1-phenylethyl)piperidin-4-yl]pyridine-2-carboxamide
SMILESCC(c1ccccc1)N1CCC(NC(=O)c2ccc(C(=O)N3CCN(Cc4ccc(F)cc4)CC3)cn2)CC1
InChIInChI=1S/C31H36FN5O2/c1-23(25-5-3-2-4-6-25)36-15-13-28(14-16-36)34-30(38)29-12-9-26(21-33-29)31(39)37-19-17-35(18-20-37)22-24-7-10-27(32)11-8-24/h2-12,21,23,28H,13-20,22H2,1H3,(H,34,38)
InChIKeyOTTMHRBJZANTRA-UHFFFAOYSA-N
XLogP4.13
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.66
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[1-(1-phenylethyl)piperidin-4-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

5-(4-benzylpiperazine-1-carbonyl)-N-(1-benzylpiperidin-4-yl)pyridine-2-carboxamide
CID 56650667
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide
CID 66710706
[4-[1-[6-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]carbamoyl]pyridine-3-carbonyl]piperidine-4-carbonyl]phenyl]methanesulfinic acid
CID 175280544
5-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-N-piperidin-4-ylpyridine-2-carboxamide
CID 144819110
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-[4-(4-methylsulfonylphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide
CID 66710372
N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-(2-phenylpropan-2-yl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 66710761
5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
CID 56654101
(6-bromo-3-pyridinyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 58073332
1-[5-(4-benzylpiperazine-1-carbonyl)-2-pyridinyl]-2-(1-benzylpiperidin-4-yl)ethanone
CID 58073212
N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-(oxan-4-yl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 66710517
3-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 119041844
methyl 4-[[[2-[[1-[[6-(cyclohexylcarbamoyl)-3-pyridinyl]methyl]piperidin-4-yl]amino]-2-phenylethyl]amino]methyl]benzoate
CID 69494586

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[1-(1-phenylethyl)piperidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of 5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[1-(1-phenylethyl)piperidin-4-yl]pyridine-2-carboxamide (CID 56652713) is 5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[1-(1-phenylethyl)piperidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[1-(1-phenylethyl)piperidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[1-(1-phenylethyl)piperidin-4-yl]pyridine-2-carboxamide is CC(c1ccccc1)N1CCC(NC(=O)c2ccc(C(=O)N3CCN(Cc4ccc(F)cc4)CC3)cn2)CC1.
What is the InChIKey of 5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[1-(1-phenylethyl)piperidin-4-yl]pyridine-2-carboxamide?
The InChIKey is OTTMHRBJZANTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36FN5O2/c1-23(25-5-3-2-4-6-25)36-15-13-28(14-16-36)34-30(38)29-12-9-26(21-33-29)31(39)37-19-17-35(18-20-37)22-24-7-10-27(32)11-8-24/h2-12,21,23,28H,13-20,22H2,1H3,(H,34,38).
What are the key properties of 5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[1-(1-phenylethyl)piperidin-4-yl]pyridine-2-carboxamide?
5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[1-(1-phenylethyl)piperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 529.66 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[1-(1-phenylethyl)piperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 56652713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).