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

C20H27F2N3O — CID 119857377

IUPAC3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C20H27F2N3O/c21-16-4-1-12(9-17(16)22)11-25-7-5-15(6-8-25)24-20(26)18-13-2-3-14(10-13)19(18)23/h1,4,9,13-15,18-19H,2-3,5-8,10-11,23H2,(H,24,26)
InChIKeyOMKBMJNNKFKTEX-UHFFFAOYSA-N
MW363.45 g/mol
LogP2.42
Rot. Bonds4

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

3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119857377) has the molecular formula C20H27F2N3O and a molecular weight of 363.45 g/mol. Its IUPAC name is 3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119857377
Molecular FormulaC20H27F2N3O
Molecular Weight363.45 g/mol
Exact Mass363.21
IUPAC Name3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C20H27F2N3O/c21-16-4-1-12(9-17(16)22)11-25-7-5-15(6-8-25)24-20(26)18-13-2-3-14(10-13)19(18)23/h1,4,9,13-15,18-19H,2-3,5-8,10-11,23H2,(H,24,26)
InChIKeyOMKBMJNNKFKTEX-UHFFFAOYSA-N
XLogP2.42
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

(1S,2R,3S,4R)-3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 118784005
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
CID 119857425
1-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 119857361
3-amino-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119901353
3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide;dihydrochloride
CID 119857402
2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide
CID 119946714
3-(aminomethyl)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methoxycyclobutane-1-carboxamide
CID 166276322
3-amino-N-(1-propylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119834897
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 55835804
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(1-hydroxypropan-2-yl)urea
CID 110901505
2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669814
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 118783776

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119857377) is 3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide is NC1C2CCC(C2)C1C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1.
What is the InChIKey of 3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is OMKBMJNNKFKTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2N3O/c21-16-4-1-12(9-17(16)22)11-25-7-5-15(6-8-25)24-20(26)18-13-2-3-14(10-13)19(18)23/h1,4,9,13-15,18-19H,2-3,5-8,10-11,23H2,(H,24,26).
What are the key properties of 3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 363.45 g/mol, XLogP of 2.42, 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-[(3,4-difluorophenyl)methyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119857377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).