1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide

C26H31FN4O3 — CID 55809799

IUPAC1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(C(=O)C3CCCN(C(=O)Cc4ccc(F)cc4)C3)C2)nc1
InChIInChI=1S/C26H31FN4O3/c1-18-6-11-23(28-15-18)29-25(33)20-4-2-13-31(16-20)26(34)21-5-3-12-30(17-21)24(32)14-19-7-9-22(27)10-8-19/h6-11,15,20-21H,2-5,12-14,16-17H2,1H3,(H,28,29,33)
InChIKeyWXMCHNAIZHMWQT-UHFFFAOYSA-N
MW466.56 g/mol
LogP3.19
Rot. Bonds5

About 1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide

1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 55809799) has the molecular formula C26H31FN4O3 and a molecular weight of 466.56 g/mol. Its IUPAC name is 1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID55809799
Molecular FormulaC26H31FN4O3
Molecular Weight466.56 g/mol
Exact Mass466.24
IUPAC Name1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(C(=O)C3CCCN(C(=O)Cc4ccc(F)cc4)C3)C2)nc1
InChIInChI=1S/C26H31FN4O3/c1-18-6-11-23(28-15-18)29-25(33)20-4-2-13-31(16-20)26(34)21-5-3-12-30(17-21)24(32)14-19-7-9-22(27)10-8-19/h6-11,15,20-21H,2-5,12-14,16-17H2,1H3,(H,28,29,33)
InChIKeyWXMCHNAIZHMWQT-UHFFFAOYSA-N
XLogP3.19
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-fluorophenoxy)acetyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55808746
2-(4-fluorophenyl)-1-[3-(3-hydroxypiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 110893860
1-[2-(4-fluorophenyl)acetyl]-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 55738275
1-[3-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 55739986
N',1-bis[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide
CID 55738620
N-[[(3R)-1-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]pyrrolidin-3-yl]methyl]acetamide
CID 124728676
3-N-(5-methyl-2-pyridinyl)-1-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
CID 51122140
N-(5-bromo-2-pyridinyl)-1-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-3-carboxamide
CID 55931379
(3R)-1-[2-(4-fluorophenyl)acetyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94168679
1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]piperidin-4-one
CID 127769925
N-(5-chloro-2-pyridinyl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-3-carboxamide
CID 55815418
1-(2-amino-3-phenylpropanoyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
CID 119855211

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 55809799) is 1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1ccc(NC(=O)C2CCCN(C(=O)C3CCCN(C(=O)Cc4ccc(F)cc4)C3)C2)nc1.
What is the InChIKey of 1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is WXMCHNAIZHMWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O3/c1-18-6-11-23(28-15-18)29-25(33)20-4-2-13-31(16-20)26(34)21-5-3-12-30(17-21)24(32)14-19-7-9-22(27)10-8-19/h6-11,15,20-21H,2-5,12-14,16-17H2,1H3,(H,28,29,33).
What are the key properties of 1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 466.56 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 55809799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).