3-(cyclopropylmethoxy)-4-(difluoromethoxy)-N-[(3S)-6-oxopiperidin-3-yl]benzamide

C17H20F2N2O4 — CID 10473302

IUPAC3-(cyclopropylmethoxy)-4-(difluoromethoxy)-N-[(3S)-6-oxopiperidin-3-yl]benzamide
SMILESO=C1CC[C@H](NC(=O)c2ccc(OC(F)F)c(OCC3CC3)c2)CN1
InChIInChI=1S/C17H20F2N2O4/c18-17(19)25-13-5-3-11(7-14(13)24-9-10-1-2-10)16(23)21-12-4-6-15(22)20-8-12/h3,5,7,10,12,17H,1-2,4,6,8-9H2,(H,20,22)(H,21,23)/t12-/m0/s1
InChIKeyRMHLOZPUERTNTA-LBPRGKRZSA-N
MW354.35 g/mol
LogP2.09
Rot. Bonds7

About 3-(cyclopropylmethoxy)-4-(difluoromethoxy)-N-[(3S)-6-oxopiperidin-3-yl]benzamide

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-N-[(3S)-6-oxopiperidin-3-yl]benzamide (PubChem CID 10473302) has the molecular formula C17H20F2N2O4 and a molecular weight of 354.35 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-4-(difluoromethoxy)-N-[(3S)-6-oxopiperidin-3-yl]benzamide.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-4-(difluoromethoxy)-N-[(3S)-6-oxopiperidin-3-yl]benzamide
PubChem CID10473302
Molecular FormulaC17H20F2N2O4
Molecular Weight354.35 g/mol
Exact Mass354.14
IUPAC Name3-(cyclopropylmethoxy)-4-(difluoromethoxy)-N-[(3S)-6-oxopiperidin-3-yl]benzamide
SMILESO=C1CC[C@H](NC(=O)c2ccc(OC(F)F)c(OCC3CC3)c2)CN1
InChIInChI=1S/C17H20F2N2O4/c18-17(19)25-13-5-3-11(7-14(13)24-9-10-1-2-10)16(23)21-12-4-6-15(22)20-8-12/h3,5,7,10,12,17H,1-2,4,6,8-9H2,(H,20,22)(H,21,23)/t12-/m0/s1
InChIKeyRMHLOZPUERTNTA-LBPRGKRZSA-N
XLogP2.09
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyl]amino]acetate
CID 175497729
4-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethyl]pyrrolidin-2-one
CID 169091004
3-amino-4-methoxy-N-(6-oxopiperidin-3-yl)benzamide
CID 55246056
3-bromo-4-methoxy-N-(6-oxopiperidin-3-yl)benzamide
CID 62492298
N-(6-oxopiperidin-3-yl)-2H-benzotriazole-5-carboxamide
CID 62489932
3-chloro-4-fluoro-N-(6-oxopiperidin-3-yl)benzamide
CID 81434409
3-[(6-oxopiperidin-3-yl)carbamoyl]benzoic acid
CID 63662325
3-amino-4-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 63662752
sodium;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;hydroxide
CID 137440562
4-(difluoromethoxy)-3-[(2,2,3,3-tetradeuteriocyclopropyl)methoxy]benzoic acid
CID 71315100
4-chloro-3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 113256480
N-(3-chloro-5-iodo-4-pyridinyl)-3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzamide
CID 70344985

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-4-(difluoromethoxy)-N-[(3S)-6-oxopiperidin-3-yl]benzamide?
The IUPAC name of 3-(cyclopropylmethoxy)-4-(difluoromethoxy)-N-[(3S)-6-oxopiperidin-3-yl]benzamide (CID 10473302) is 3-(cyclopropylmethoxy)-4-(difluoromethoxy)-N-[(3S)-6-oxopiperidin-3-yl]benzamide.
What is the SMILES notation for 3-(cyclopropylmethoxy)-4-(difluoromethoxy)-N-[(3S)-6-oxopiperidin-3-yl]benzamide?
The canonical SMILES for 3-(cyclopropylmethoxy)-4-(difluoromethoxy)-N-[(3S)-6-oxopiperidin-3-yl]benzamide is O=C1CC[C@H](NC(=O)c2ccc(OC(F)F)c(OCC3CC3)c2)CN1.
What is the InChIKey of 3-(cyclopropylmethoxy)-4-(difluoromethoxy)-N-[(3S)-6-oxopiperidin-3-yl]benzamide?
The InChIKey is RMHLOZPUERTNTA-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20F2N2O4/c18-17(19)25-13-5-3-11(7-14(13)24-9-10-1-2-10)16(23)21-12-4-6-15(22)20-8-12/h3,5,7,10,12,17H,1-2,4,6,8-9H2,(H,20,22)(H,21,23)/t12-/m0/s1.
What are the key properties of 3-(cyclopropylmethoxy)-4-(difluoromethoxy)-N-[(3S)-6-oxopiperidin-3-yl]benzamide?
3-(cyclopropylmethoxy)-4-(difluoromethoxy)-N-[(3S)-6-oxopiperidin-3-yl]benzamide has a molecular weight of 354.35 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-4-(difluoromethoxy)-N-[(3S)-6-oxopiperidin-3-yl]benzamide is sourced from PubChem (CID 10473302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).