(3R)-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3-[(3R)-piperidin-3-yl]butanamide

C17H24F2N2O3 — CID 99775760

IUPAC(3R)-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3-[(3R)-piperidin-3-yl]butanamide
SMILESCOc1ccc(OC(F)F)c(NC(=O)C[C@@H](C)[C@H]2CCCNC2)c1
InChIInChI=1S/C17H24F2N2O3/c1-11(12-4-3-7-20-10-12)8-16(22)21-14-9-13(23-2)5-6-15(14)24-17(18)19/h5-6,9,11-12,17,20H,3-4,7-8,10H2,1-2H3,(H,21,22)/t11-,12+/m1/s1
InChIKeySICCEBUHYNURIA-NEPJUHHUSA-N
MW342.39 g/mol
LogP3.26
Rot. Bonds7

About (3R)-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3-[(3R)-piperidin-3-yl]butanamide

(3R)-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3-[(3R)-piperidin-3-yl]butanamide (PubChem CID 99775760) has the molecular formula C17H24F2N2O3 and a molecular weight of 342.39 g/mol. Its IUPAC name is (3R)-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3-[(3R)-piperidin-3-yl]butanamide.

Molecular Properties

Compound Name(3R)-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3-[(3R)-piperidin-3-yl]butanamide
PubChem CID99775760
Molecular FormulaC17H24F2N2O3
Molecular Weight342.39 g/mol
Exact Mass342.18
IUPAC Name(3R)-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3-[(3R)-piperidin-3-yl]butanamide
SMILESCOc1ccc(OC(F)F)c(NC(=O)C[C@@H](C)[C@H]2CCCNC2)c1
InChIInChI=1S/C17H24F2N2O3/c1-11(12-4-3-7-20-10-12)8-16(22)21-14-9-13(23-2)5-6-15(14)24-17(18)19/h5-6,9,11-12,17,20H,3-4,7-8,10H2,1-2H3,(H,21,22)/t11-,12+/m1/s1
InChIKeySICCEBUHYNURIA-NEPJUHHUSA-N
XLogP3.26
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3-[(3R)-piperidin-3-yl]butanamide
CID 99775759
N-(2-butoxy-5-methoxyphenyl)-3-piperidin-3-ylbutanamide
CID 119715055
(3R)-N-[2-(difluoromethoxy)-5-methoxyphenyl]piperidine-3-carboxamide
CID 81119085
N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670993
N-[(2,5-dimethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 119703187
3-piperidin-3-yl-N-(2,3,4-trimethoxyphenyl)butanamide
CID 119761607
3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide
CID 119714859
N-(2-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670527
N-[2-(2,5-dimethoxyphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705612
2-(cyclopropylamino)-N-[2-(difluoromethoxy)-5-methoxyphenyl]acetamide
CID 60841268
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119744019
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 119802538

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3-[(3R)-piperidin-3-yl]butanamide?
The IUPAC name of (3R)-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3-[(3R)-piperidin-3-yl]butanamide (CID 99775760) is (3R)-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3-[(3R)-piperidin-3-yl]butanamide.
What is the SMILES notation for (3R)-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3-[(3R)-piperidin-3-yl]butanamide?
The canonical SMILES for (3R)-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3-[(3R)-piperidin-3-yl]butanamide is COc1ccc(OC(F)F)c(NC(=O)C[C@@H](C)[C@H]2CCCNC2)c1.
What is the InChIKey of (3R)-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3-[(3R)-piperidin-3-yl]butanamide?
The InChIKey is SICCEBUHYNURIA-NEPJUHHUSA-N. The full InChI is InChI=1S/C17H24F2N2O3/c1-11(12-4-3-7-20-10-12)8-16(22)21-14-9-13(23-2)5-6-15(14)24-17(18)19/h5-6,9,11-12,17,20H,3-4,7-8,10H2,1-2H3,(H,21,22)/t11-,12+/m1/s1.
What are the key properties of (3R)-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3-[(3R)-piperidin-3-yl]butanamide?
(3R)-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3-[(3R)-piperidin-3-yl]butanamide has a molecular weight of 342.39 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3-[(3R)-piperidin-3-yl]butanamide is sourced from PubChem (CID 99775760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).