(3S)-N-[(3R)-1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]oxolane-3-carboxamide

C17H22F2N2O3 — CID 129378077

IUPAC(3S)-N-[(3R)-1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]oxolane-3-carboxamide
SMILESO=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCOC1
InChIInChI=1S/C17H22F2N2O3/c18-17(19)24-15-5-3-14(4-6-15)21-8-1-2-13(10-21)20-16(22)12-7-9-23-11-12/h3-6,12-13,17H,1-2,7-11H2,(H,20,22)/t12-,13+/m0/s1
InChIKeyNRZTZPKLSSFPDL-QWHCGFSZSA-N
MW340.37 g/mol
LogP2.41
Rot. Bonds5

About (3S)-N-[(3R)-1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]oxolane-3-carboxamide

(3S)-N-[(3R)-1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]oxolane-3-carboxamide (PubChem CID 129378077) has the molecular formula C17H22F2N2O3 and a molecular weight of 340.37 g/mol. Its IUPAC name is (3S)-N-[(3R)-1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(3R)-1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]oxolane-3-carboxamide
PubChem CID129378077
Molecular FormulaC17H22F2N2O3
Molecular Weight340.37 g/mol
Exact Mass340.16
IUPAC Name(3S)-N-[(3R)-1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]oxolane-3-carboxamide
SMILESO=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCOC1
InChIInChI=1S/C17H22F2N2O3/c18-17(19)24-15-5-3-14(4-6-15)21-8-1-2-13(10-21)20-16(22)12-7-9-23-11-12/h3-6,12-13,17H,1-2,7-11H2,(H,20,22)/t12-,13+/m0/s1
InChIKeyNRZTZPKLSSFPDL-QWHCGFSZSA-N
XLogP2.41
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-2-methylsulfanylacetamide
CID 71994057
N-[(3R)-1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide
CID 96568176
N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]oxolane-3-carboxamide
CID 84597968
6-[[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133325717
N-(1-phenylpiperidin-3-yl)morpholine-3-carboxamide
CID 119888738
2-[[[[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]amino]-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110042256
N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-3-nitropyridin-2-amine
CID 133325739
N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-4-methylpyrimidin-2-amine
CID 133325736
2-[4-(difluoromethoxy)phenyl]-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79915947
2-[[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]amino]-5-nitrobenzamide
CID 133325741
1-methyl-N-(1-phenylpiperidin-3-yl)piperidine-4-carboxamide
CID 167845265
N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide
CID 53318242

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(3R)-1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-[(3R)-1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]oxolane-3-carboxamide (CID 129378077) is (3S)-N-[(3R)-1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[(3R)-1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-[(3R)-1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]oxolane-3-carboxamide is O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCOC1.
What is the InChIKey of (3S)-N-[(3R)-1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]oxolane-3-carboxamide?
The InChIKey is NRZTZPKLSSFPDL-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H22F2N2O3/c18-17(19)24-15-5-3-14(4-6-15)21-8-1-2-13(10-21)20-16(22)12-7-9-23-11-12/h3-6,12-13,17H,1-2,7-11H2,(H,20,22)/t12-,13+/m0/s1.
What are the key properties of (3S)-N-[(3R)-1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]oxolane-3-carboxamide?
(3S)-N-[(3R)-1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]oxolane-3-carboxamide has a molecular weight of 340.37 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(3R)-1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]oxolane-3-carboxamide is sourced from PubChem (CID 129378077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).