1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

C21H27FN2O2 — CID 98786326

IUPAC1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1
InChIInChI=1S/C21H27FN2O2/c22-18-5-2-14(3-6-18)13-23-20(25)16-7-9-24(10-8-16)21(26)19-12-15-1-4-17(19)11-15/h2-3,5-6,15-17,19H,1,4,7-13H2,(H,23,25)/t15-,17-,19+/m0/s1
InChIKeyHFWQGXNCTRZSSJ-VDZJLULYSA-N
MW358.46 g/mol
LogP3.12
Rot. Bonds4

About 1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 98786326) has the molecular formula C21H27FN2O2 and a molecular weight of 358.46 g/mol. Its IUPAC name is 1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
PubChem CID98786326
Molecular FormulaC21H27FN2O2
Molecular Weight358.46 g/mol
Exact Mass358.21
IUPAC Name1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1
InChIInChI=1S/C21H27FN2O2/c22-18-5-2-14(3-6-18)13-23-20(25)16-7-9-24(10-8-16)21(26)19-12-15-1-4-17(19)11-15/h2-3,5-6,15-17,19H,1,4,7-13H2,(H,23,25)/t15-,17-,19+/m0/s1
InChIKeyHFWQGXNCTRZSSJ-VDZJLULYSA-N
XLogP3.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 98763014
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 119289725
N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985646
N-[(4-fluorophenyl)methyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113004216
4-[(bicyclo[2.2.1]heptane-2-carbonylamino)methyl]benzoic acid
CID 43209946
1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 87020609
(1S,2R,4S)-N-[[4-(trifluoromethyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 129376830
N-[(4-fluorophenyl)methyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 7935481
1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 55653512
1-(2-cyclopentylcyclopropanecarbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 154842260
N-[(4-carbamoylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 47124918
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 18556191

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (CID 98786326) is 1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is O=C(NCc1ccc(F)cc1)C1CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1.
What is the InChIKey of 1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is HFWQGXNCTRZSSJ-VDZJLULYSA-N. The full InChI is InChI=1S/C21H27FN2O2/c22-18-5-2-14(3-6-18)13-23-20(25)16-7-9-24(10-8-16)21(26)19-12-15-1-4-17(19)11-15/h2-3,5-6,15-17,19H,1,4,7-13H2,(H,23,25)/t15-,17-,19+/m0/s1.
What are the key properties of 1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 98786326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).