3-amino-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide

C20H28FN3O — CID 119844639

IUPAC3-amino-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)NC1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C20H28FN3O/c21-16-5-1-13(2-6-16)12-24-9-7-17(8-10-24)23-20(25)18-14-3-4-15(11-14)19(18)22/h1-2,5-6,14-15,17-19H,3-4,7-12,22H2,(H,23,25)
InChIKeyUSVHMQQIXLWRJZ-UHFFFAOYSA-N
MW345.46 g/mol
LogP2.28
Rot. Bonds4

About 3-amino-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119844639) has the molecular formula C20H28FN3O and a molecular weight of 345.46 g/mol. Its IUPAC name is 3-amino-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119844639
Molecular FormulaC20H28FN3O
Molecular Weight345.46 g/mol
Exact Mass345.22
IUPAC Name3-amino-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)NC1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C20H28FN3O/c21-16-5-1-13(2-6-16)12-24-9-7-17(8-10-24)23-20(25)18-14-3-4-15(11-14)19(18)22/h1-2,5-6,14-15,17-19H,3-4,7-12,22H2,(H,23,25)
InChIKeyUSVHMQQIXLWRJZ-UHFFFAOYSA-N
XLogP2.28
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Related Compounds

N-(1-bicyclo[2.2.1]hept-2-ylethyl)-3-fluorobenzamide
CID 2931175
N-[1-(4-Fluoro-benzyl)-piperidin-4-yl]-2-phenyl-acetamide
CID 9797419
N-[1-(3-Fluoro-benzyl)-piperidin-4-yl]-2-phenyl-acetamide
CID 9840310
N-[1-(2-Fluoro-benzyl)-piperidin-4-yl]-2-phenyl-acetamide
CID 9883820
N-(1-benzylpiperidin-4-yl)-2-(2-fluorophenyl)acetamide
CID 9927364
N-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)acetamide
CID 10592242
N-(1-Benzyl-piperidin-4-yl)-2-(3-fluoro-phenyl)-acetamide
CID 10616126
2,2-dicyclohexyl-N-{(3aS,4S,6aR)-2-[3-(trifluoromethyl)benzyl]octahydrocyclopenta[c]pyrrol-4-yl}acetamide
CID 46213054
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
(R)-3-amino-4-(2-fluorophenyl)-N-(1-methyl-4-phenylpiperidin-4-yl)butanamide
CID 44589879
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluorobenzamide
CID 5049786

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119844639) is 3-amino-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide is NC1C2CCC(C2)C1C(=O)NC1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 3-amino-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is USVHMQQIXLWRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O/c21-16-5-1-13(2-6-16)12-24-9-7-17(8-10-24)23-20(25)18-14-3-4-15(11-14)19(18)22/h1-2,5-6,14-15,17-19H,3-4,7-12,22H2,(H,23,25).
What are the key properties of 3-amino-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 345.46 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119844639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).