(3S)-N-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxopiperidine-3-carboxamide

C17H20F2N2O4 — CID 142869382

IUPAC(3S)-N-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxopiperidine-3-carboxamide
SMILESO=C1NCCC[C@@H]1C(=O)Nc1ccc(OC(F)F)c(OCC2CC2)c1
InChIInChI=1S/C17H20F2N2O4/c18-17(19)25-13-6-5-11(8-14(13)24-9-10-3-4-10)21-16(23)12-2-1-7-20-15(12)22/h5-6,8,10,12,17H,1-4,7,9H2,(H,20,22)(H,21,23)/t12-/m0/s1
InChIKeyBCOKORNFWXSEOC-LBPRGKRZSA-N
MW354.35 g/mol
LogP2.54
Rot. Bonds7

About (3S)-N-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxopiperidine-3-carboxamide

(3S)-N-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxopiperidine-3-carboxamide (PubChem CID 142869382) has the molecular formula C17H20F2N2O4 and a molecular weight of 354.35 g/mol. Its IUPAC name is (3S)-N-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxopiperidine-3-carboxamide
PubChem CID142869382
Molecular FormulaC17H20F2N2O4
Molecular Weight354.35 g/mol
Exact Mass354.14
IUPAC Name(3S)-N-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxopiperidine-3-carboxamide
SMILESO=C1NCCC[C@@H]1C(=O)Nc1ccc(OC(F)F)c(OCC2CC2)c1
InChIInChI=1S/C17H20F2N2O4/c18-17(19)25-13-6-5-11(8-14(13)24-9-10-3-4-10)21-16(23)12-2-1-7-20-15(12)22/h5-6,8,10,12,17H,1-4,7,9H2,(H,20,22)(H,21,23)/t12-/m0/s1
InChIKeyBCOKORNFWXSEOC-LBPRGKRZSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-[3,4-bis(difluoromethoxy)phenyl]-2-oxopiperidine-3-carboxamide
CID 142869347
methyl (2S,4S)-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)anilino]pyrrolidine-2-carboxylate
CID 175911274
(2R)-N-[3-(difluoromethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide
CID 103794468
3-(cyclopropylmethoxy)-4-(difluoromethoxy)-N-[(3S)-6-oxopiperidin-3-yl]benzamide
CID 10473302
N-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)anilino]ethyl]-2-(1H-imidazol-5-yl)acetamide
CID 162601924
methyl 2-[[3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyl]amino]acetate
CID 175497729
3-(cyclobutylmethoxy)-4-(difluoromethoxy)benzaldehyde
CID 19705417
N-[4-(difluoromethoxy)-3-fluorophenyl]piperidine-4-carboxamide
CID 60927755
(3R)-N-(2,5-dimethoxyphenyl)-2-oxopiperidine-3-carboxamide
CID 807343
N-[5-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]-2-pyridinyl]acetamide
CID 169091031
N-[3-chloro-4-(difluoromethoxy)phenyl]piperidine-3-carboxamide
CID 61260908
4-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethyl]pyrrolidin-2-one
CID 169091004

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxopiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxopiperidine-3-carboxamide (CID 142869382) is (3S)-N-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxopiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxopiperidine-3-carboxamide is O=C1NCCC[C@@H]1C(=O)Nc1ccc(OC(F)F)c(OCC2CC2)c1.
What is the InChIKey of (3S)-N-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxopiperidine-3-carboxamide?
The InChIKey is BCOKORNFWXSEOC-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20F2N2O4/c18-17(19)25-13-6-5-11(8-14(13)24-9-10-3-4-10)21-16(23)12-2-1-7-20-15(12)22/h5-6,8,10,12,17H,1-4,7,9H2,(H,20,22)(H,21,23)/t12-/m0/s1.
What are the key properties of (3S)-N-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxopiperidine-3-carboxamide?
(3S)-N-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxopiperidine-3-carboxamide has a molecular weight of 354.35 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxopiperidine-3-carboxamide is sourced from PubChem (CID 142869382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).