[(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone

C23H23NO3S — CID 26319479

IUPAC[(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone
SMILESCOCc1ccc(C(=O)N2CCC[C@@H](C(=O)c3ccc4ccccc4c3)C2)s1
InChIInChI=1S/C23H23NO3S/c1-27-15-20-10-11-21(28-20)23(26)24-12-4-7-19(14-24)22(25)18-9-8-16-5-2-3-6-17(16)13-18/h2-3,5-6,8-11,13,19H,4,7,12,14-15H2,1H3/t19-/m1/s1
InChIKeyPYQSIVFRZAZMRX-LJQANCHMSA-N
MW393.51 g/mol
LogP4.78
Rot. Bonds5

About [(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone

[(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone (PubChem CID 26319479) has the molecular formula C23H23NO3S and a molecular weight of 393.51 g/mol. Its IUPAC name is [(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name[(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone
PubChem CID26319479
Molecular FormulaC23H23NO3S
Molecular Weight393.51 g/mol
Exact Mass393.14
IUPAC Name[(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone
SMILESCOCc1ccc(C(=O)N2CCC[C@@H](C(=O)c3ccc4ccccc4c3)C2)s1
InChIInChI=1S/C23H23NO3S/c1-27-15-20-10-11-21(28-20)23(26)24-12-4-7-19(14-24)22(25)18-9-8-16-5-2-3-6-17(16)13-18/h2-3,5-6,8-11,13,19H,4,7,12,14-15H2,1H3/t19-/m1/s1
InChIKeyPYQSIVFRZAZMRX-LJQANCHMSA-N
XLogP4.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone
CID 42567720
2-amino-2-methyl-1-[(3R)-3-(naphthalene-2-carbonyl)piperidin-1-yl]propan-1-one
CID 97138818
[1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone
CID 24790219
naphthalen-2-yl-[(3R)-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
CID 25281752
tert-butyl 3-(naphthalene-2-carbonyl)piperidine-1-carboxylate
CID 174881226
[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone
CID 45248371
[1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone
CID 56914040
(6-methoxynaphthalen-2-yl)-[1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methanone
CID 24791502
(6-methoxynaphthalen-2-yl)-[(3R)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methanone
CID 26390778
4-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-4-oxobutanamide
CID 45220396
ethyl (3S)-1-(naphthalene-2-carbonyl)piperidine-3-carboxylate
CID 26710230
[(3S)-1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone
CID 42518126

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone?
The IUPAC name of [(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone (CID 26319479) is [(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone.
What is the SMILES notation for [(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone?
The canonical SMILES for [(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone is COCc1ccc(C(=O)N2CCC[C@@H](C(=O)c3ccc4ccccc4c3)C2)s1.
What is the InChIKey of [(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone?
The InChIKey is PYQSIVFRZAZMRX-LJQANCHMSA-N. The full InChI is InChI=1S/C23H23NO3S/c1-27-15-20-10-11-21(28-20)23(26)24-12-4-7-19(14-24)22(25)18-9-8-16-5-2-3-6-17(16)13-18/h2-3,5-6,8-11,13,19H,4,7,12,14-15H2,1H3/t19-/m1/s1.
What are the key properties of [(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone?
[(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone has a molecular weight of 393.51 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone is sourced from PubChem (CID 26319479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).