1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

C21H28FN3O2 — CID 119723998

IUPAC1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C21H28FN3O2/c22-17-5-1-13(2-6-17)12-24-20(26)14-7-9-25(10-8-14)21(27)18-15-3-4-16(11-15)19(18)23/h1-2,5-6,14-16,18-19H,3-4,7-12,23H2,(H,24,26)
InChIKeyXGJAIVDSNOZGRT-UHFFFAOYSA-N
MW373.47 g/mol
LogP2.05
Rot. Bonds4

About 1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 119723998) has the molecular formula C21H28FN3O2 and a molecular weight of 373.47 g/mol. Its IUPAC name is 1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
PubChem CID119723998
Molecular FormulaC21H28FN3O2
Molecular Weight373.47 g/mol
Exact Mass373.22
IUPAC Name1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C21H28FN3O2/c22-17-5-1-13(2-6-17)12-24-20(26)14-7-9-25(10-8-14)21(27)18-15-3-4-16(11-15)19(18)23/h1-2,5-6,14-16,18-19H,3-4,7-12,23H2,(H,24,26)
InChIKeyXGJAIVDSNOZGRT-UHFFFAOYSA-N
XLogP2.05
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3aS,4S,6aR)-2-[(4-fluorophenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2,2-dicyclohexylacetamide
CID 46213110
N-[(3aS,4S,6aR)-2-[(3-fluorophenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2,2-dicyclohexylacetamide
CID 66590677
N-[(3aS,4S,6aR)-2-[(2-fluorophenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2,2-dicyclohexylacetamide
CID 46213055
(1S,11R,13R)-13-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-[(3-fluorophenyl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199148
(8aS,10S,11aR)-1-(2-cyclohexylacetyl)-10-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
CID 110202421
N-cyclopentyl-1-[[3-(2,4-difluorophenyl)phenyl]methyl]piperidine-3-carboxamide
CID 134796735
(8aS,10S,11aR)-1-(2-cyclopentylacetyl)-10-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
CID 110202422
2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 4810893
2-[4-[[4-[[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]piperidin-1-yl]methyl]phenyl]acetamide
CID 44591875
1-acetyl-N-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 46065201
N-(2-bicyclo[2.2.1]heptanyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46110018
1-bicyclo[2.2.1]hept-2-yl-N-(2-fluorobenzyl)-5-oxo-3-pyrrolidinecarboxamide
CID 46110065

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (CID 119723998) is 1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is NC1C2CCC(C2)C1C(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is XGJAIVDSNOZGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O2/c22-17-5-1-13(2-6-17)12-24-20(26)14-7-9-25(10-8-14)21(27)18-15-3-4-16(11-15)19(18)23/h1-2,5-6,14-16,18-19H,3-4,7-12,23H2,(H,24,26).
What are the key properties of 1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 373.47 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 119723998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).