(3R)-1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]piperidine-3-carboxamide

C20H29F2N3O — CID 53322952

IUPAC(3R)-1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(C2CCC([C@H](N)Cc3cc(F)ccc3F)CC2)C1
InChIInChI=1S/C20H29F2N3O/c21-16-5-8-18(22)15(10-16)11-19(23)13-3-6-17(7-4-13)25-9-1-2-14(12-25)20(24)26/h5,8,10,13-14,17,19H,1-4,6-7,9,11-12,23H2,(H2,24,26)/t13?,14-,17?,19-/m1/s1
InChIKeyFBQPVRNOIUERMB-OSKHTFGMSA-N
MW365.47 g/mol
LogP2.59
Rot. Bonds5

About (3R)-1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]piperidine-3-carboxamide

(3R)-1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]piperidine-3-carboxamide (PubChem CID 53322952) has the molecular formula C20H29F2N3O and a molecular weight of 365.47 g/mol. Its IUPAC name is (3R)-1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]piperidine-3-carboxamide
PubChem CID53322952
Molecular FormulaC20H29F2N3O
Molecular Weight365.47 g/mol
Exact Mass365.23
IUPAC Name(3R)-1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(C2CCC([C@H](N)Cc3cc(F)ccc3F)CC2)C1
InChIInChI=1S/C20H29F2N3O/c21-16-5-8-18(22)15(10-16)11-19(23)13-3-6-17(7-4-13)25-9-1-2-14(12-25)20(24)26/h5,8,10,13-14,17,19H,1-4,6-7,9,11-12,23H2,(H2,24,26)/t13?,14-,17?,19-/m1/s1
InChIKeyFBQPVRNOIUERMB-OSKHTFGMSA-N
XLogP2.59
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]piperidine-3-carboxamide (CID 53322952) is (3R)-1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]piperidine-3-carboxamide is NC(=O)[C@@H]1CCCN(C2CCC([C@H](N)Cc3cc(F)ccc3F)CC2)C1.
What is the InChIKey of (3R)-1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]piperidine-3-carboxamide?
The InChIKey is FBQPVRNOIUERMB-OSKHTFGMSA-N. The full InChI is InChI=1S/C20H29F2N3O/c21-16-5-8-18(22)15(10-16)11-19(23)13-3-6-17(7-4-13)25-9-1-2-14(12-25)20(24)26/h5,8,10,13-14,17,19H,1-4,6-7,9,11-12,23H2,(H2,24,26)/t13?,14-,17?,19-/m1/s1.
What are the key properties of (3R)-1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]piperidine-3-carboxamide?
(3R)-1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]piperidine-3-carboxamide has a molecular weight of 365.47 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]piperidine-3-carboxamide is sourced from PubChem (CID 53322952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).