N-[(1R,2R)-2-benzamidocyclohexyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide

C26H30FN3O3 — CID 51071046

IUPACN-[(1R,2R)-2-benzamidocyclohexyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1NC(=O)C1CCN(C(=O)c2cccc(F)c2)CC1)c1ccccc1
InChIInChI=1S/C26H30FN3O3/c27-21-10-6-9-20(17-21)26(33)30-15-13-19(14-16-30)25(32)29-23-12-5-4-11-22(23)28-24(31)18-7-2-1-3-8-18/h1-3,6-10,17,19,22-23H,4-5,11-16H2,(H,28,31)(H,29,32)/t22-,23-/m1/s1
InChIKeyQUGTVPQARMUHHV-DHIUTWEWSA-N
MW451.54 g/mol
LogP3.54
Rot. Bonds5

About N-[(1R,2R)-2-benzamidocyclohexyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide

N-[(1R,2R)-2-benzamidocyclohexyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide (PubChem CID 51071046) has the molecular formula C26H30FN3O3 and a molecular weight of 451.54 g/mol. Its IUPAC name is N-[(1R,2R)-2-benzamidocyclohexyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-benzamidocyclohexyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide
PubChem CID51071046
Molecular FormulaC26H30FN3O3
Molecular Weight451.54 g/mol
Exact Mass451.23
IUPAC NameN-[(1R,2R)-2-benzamidocyclohexyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1NC(=O)C1CCN(C(=O)c2cccc(F)c2)CC1)c1ccccc1
InChIInChI=1S/C26H30FN3O3/c27-21-10-6-9-20(17-21)26(33)30-15-13-19(14-16-30)25(32)29-23-12-5-4-11-22(23)28-24(31)18-7-2-1-3-8-18/h1-3,6-10,17,19,22-23H,4-5,11-16H2,(H,28,31)(H,29,32)/t22-,23-/m1/s1
InChIKeyQUGTVPQARMUHHV-DHIUTWEWSA-N
XLogP3.54
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.54
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 17223576
4-N-[(2R)-2-benzamidocyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 46103923
N-[(1R,2R)-2-benzamidocyclohexyl]-1-propanoylpiperidine-4-carboxamide
CID 51071021
1-benzoyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 110298375
N-[(1R,2R)-2-benzamidocyclohexyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 51071678
N-[(1R,2R)-2-benzamidocyclohexyl]-1-(benzenesulfonyl)piperidine-4-carboxamide
CID 51071212
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
1-(3-fluorobenzoyl)-N-pentan-3-ylpiperidine-4-carboxamide
CID 17223719
N-(2-cyanophenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 17223693
[1-(3-fluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 1438163
(3-fluorophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868479
1-(3-fluorobenzoyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17223612

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-benzamidocyclohexyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-[(1R,2R)-2-benzamidocyclohexyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide (CID 51071046) is N-[(1R,2R)-2-benzamidocyclohexyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-benzamidocyclohexyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-benzamidocyclohexyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide is O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1CCN(C(=O)c2cccc(F)c2)CC1)c1ccccc1.
What is the InChIKey of N-[(1R,2R)-2-benzamidocyclohexyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide?
The InChIKey is QUGTVPQARMUHHV-DHIUTWEWSA-N. The full InChI is InChI=1S/C26H30FN3O3/c27-21-10-6-9-20(17-21)26(33)30-15-13-19(14-16-30)25(32)29-23-12-5-4-11-22(23)28-24(31)18-7-2-1-3-8-18/h1-3,6-10,17,19,22-23H,4-5,11-16H2,(H,28,31)(H,29,32)/t22-,23-/m1/s1.
What are the key properties of N-[(1R,2R)-2-benzamidocyclohexyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide?
N-[(1R,2R)-2-benzamidocyclohexyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide has a molecular weight of 451.54 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-benzamidocyclohexyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 51071046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).