3-amino-N-[1-(3-fluorophenyl)piperidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide

C19H26FN3O — CID 119884134

IUPAC3-amino-N-[1-(3-fluorophenyl)piperidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)NC1CCCN(c2cccc(F)c2)C1
InChIInChI=1S/C19H26FN3O/c20-14-3-1-5-16(10-14)23-8-2-4-15(11-23)22-19(24)17-12-6-7-13(9-12)18(17)21/h1,3,5,10,12-13,15,17-18H,2,4,6-9,11,21H2,(H,22,24)
InChIKeyPJACBNMPVRJJPJ-UHFFFAOYSA-N
MW331.43 g/mol
LogP2.28
Rot. Bonds3

About 3-amino-N-[1-(3-fluorophenyl)piperidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[1-(3-fluorophenyl)piperidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119884134) has the molecular formula C19H26FN3O and a molecular weight of 331.43 g/mol. Its IUPAC name is 3-amino-N-[1-(3-fluorophenyl)piperidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(3-fluorophenyl)piperidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119884134
Molecular FormulaC19H26FN3O
Molecular Weight331.43 g/mol
Exact Mass331.21
IUPAC Name3-amino-N-[1-(3-fluorophenyl)piperidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)NC1CCCN(c2cccc(F)c2)C1
InChIInChI=1S/C19H26FN3O/c20-14-3-1-5-16(10-14)23-8-2-4-15(11-23)22-19(24)17-12-6-7-13(9-12)18(17)21/h1,3,5,10,12-13,15,17-18H,2,4,6-9,11,21H2,(H,22,24)
InChIKeyPJACBNMPVRJJPJ-UHFFFAOYSA-N
XLogP2.28
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.43
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119899508
N-[1-(3-fluorophenyl)piperidin-3-yl]-1,3-thiazolidine-4-carboxamide
CID 119884186
4-amino-N-[1-(3-fluorophenyl)piperidin-3-yl]pentanamide;dihydrochloride
CID 120565548
trans-(1S,2S)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 124782091
N-[(3S)-1-(3-fluorophenyl)piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 95980409
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide
CID 110478479
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119884155
1-[[1-(3-fluorophenyl)piperidin-3-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122820
2-amino-N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide
CID 110480014
2-hydroxy-N-[(3S)-1-phenylpiperidin-3-yl]bicyclo[3.2.1]octane-6-carboxamide
CID 58656288
4-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]pyridin-2-amine
CID 171540303
1-(3-fluorophenyl)-5-[[4-[3-[1-[2-[[1-(3-fluorophenyl)piperidin-3-yl]amino]-4-pyridinyl]pyrrolidin-3-yl]pyrrolidin-1-yl]-2-pyridinyl]amino]piperidine-3-carboxamide
CID 171540106

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3-fluorophenyl)piperidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[1-(3-fluorophenyl)piperidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119884134) is 3-amino-N-[1-(3-fluorophenyl)piperidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(3-fluorophenyl)piperidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[1-(3-fluorophenyl)piperidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide is NC1C2CCC(C2)C1C(=O)NC1CCCN(c2cccc(F)c2)C1.
What is the InChIKey of 3-amino-N-[1-(3-fluorophenyl)piperidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is PJACBNMPVRJJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O/c20-14-3-1-5-16(10-14)23-8-2-4-15(11-23)22-19(24)17-12-6-7-13(9-12)18(17)21/h1,3,5,10,12-13,15,17-18H,2,4,6-9,11,21H2,(H,22,24).
What are the key properties of 3-amino-N-[1-(3-fluorophenyl)piperidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[1-(3-fluorophenyl)piperidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 331.43 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(3-fluorophenyl)piperidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119884134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).