1-[(3R)-3-(naphthalene-2-carbonyl)piperidin-1-yl]-3-(2H-pyrrol-4-yl)propan-1-one

C23H24N2O2 — CID 134594641

IUPAC1-[(3R)-3-(naphthalene-2-carbonyl)piperidin-1-yl]-3-(2H-pyrrol-4-yl)propan-1-one
SMILESO=C(c1ccc2ccccc2c1)[C@@H]1CCCN(C(=O)CCC2=CCN=C2)C1
InChIInChI=1S/C23H24N2O2/c26-22(10-7-17-11-12-24-15-17)25-13-3-6-21(16-25)23(27)20-9-8-18-4-1-2-5-19(18)14-20/h1-2,4-5,8-9,11,14-15,21H,3,6-7,10,12-13,16H2/t21-/m1/s1
InChIKeyGUTPZIHITUNBJT-OAQYLSRUSA-N
MW360.46 g/mol
LogP4.05
Rot. Bonds5

About 1-[(3R)-3-(naphthalene-2-carbonyl)piperidin-1-yl]-3-(2H-pyrrol-4-yl)propan-1-one

1-[(3R)-3-(naphthalene-2-carbonyl)piperidin-1-yl]-3-(2H-pyrrol-4-yl)propan-1-one (PubChem CID 134594641) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-[(3R)-3-(naphthalene-2-carbonyl)piperidin-1-yl]-3-(2H-pyrrol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-(naphthalene-2-carbonyl)piperidin-1-yl]-3-(2H-pyrrol-4-yl)propan-1-one
PubChem CID134594641
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name1-[(3R)-3-(naphthalene-2-carbonyl)piperidin-1-yl]-3-(2H-pyrrol-4-yl)propan-1-one
SMILESO=C(c1ccc2ccccc2c1)[C@@H]1CCCN(C(=O)CCC2=CCN=C2)C1
InChIInChI=1S/C23H24N2O2/c26-22(10-7-17-11-12-24-15-17)25-13-3-6-21(16-25)23(27)20-9-8-18-4-1-2-5-19(18)14-20/h1-2,4-5,8-9,11,14-15,21H,3,6-7,10,12-13,16H2/t21-/m1/s1
InChIKeyGUTPZIHITUNBJT-OAQYLSRUSA-N
XLogP4.05
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(3R)-3-(naphthalene-2-carbonyl)piperidin-1-yl]-3-(2H-pyrrol-4-yl)propan-1-one with MolForge

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Related Compounds

4-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-4-oxobutanamide
CID 45220396
2-amino-2-methyl-1-[(3R)-3-(naphthalene-2-carbonyl)piperidin-1-yl]propan-1-one
CID 97138818
tert-butyl 3-(naphthalene-2-carbonyl)piperidine-1-carboxylate
CID 174881226
1-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 42094086
[1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone
CID 24790219
1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-naphthalen-2-ylpropan-1-one
CID 47059658
naphthalen-2-yl-[(3R)-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
CID 25281752
1-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 25288026
1-[(3S)-3-benzoylpiperidin-1-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-one
CID 95225274
[(3S)-1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone
CID 42518126
1-[3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyrazin-2-ylpropan-1-one
CID 45241198
[1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone
CID 56914040

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(naphthalene-2-carbonyl)piperidin-1-yl]-3-(2H-pyrrol-4-yl)propan-1-one?
The IUPAC name of 1-[(3R)-3-(naphthalene-2-carbonyl)piperidin-1-yl]-3-(2H-pyrrol-4-yl)propan-1-one (CID 134594641) is 1-[(3R)-3-(naphthalene-2-carbonyl)piperidin-1-yl]-3-(2H-pyrrol-4-yl)propan-1-one.
What is the SMILES notation for 1-[(3R)-3-(naphthalene-2-carbonyl)piperidin-1-yl]-3-(2H-pyrrol-4-yl)propan-1-one?
The canonical SMILES for 1-[(3R)-3-(naphthalene-2-carbonyl)piperidin-1-yl]-3-(2H-pyrrol-4-yl)propan-1-one is O=C(c1ccc2ccccc2c1)[C@@H]1CCCN(C(=O)CCC2=CCN=C2)C1.
What is the InChIKey of 1-[(3R)-3-(naphthalene-2-carbonyl)piperidin-1-yl]-3-(2H-pyrrol-4-yl)propan-1-one?
The InChIKey is GUTPZIHITUNBJT-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H24N2O2/c26-22(10-7-17-11-12-24-15-17)25-13-3-6-21(16-25)23(27)20-9-8-18-4-1-2-5-19(18)14-20/h1-2,4-5,8-9,11,14-15,21H,3,6-7,10,12-13,16H2/t21-/m1/s1.
What are the key properties of 1-[(3R)-3-(naphthalene-2-carbonyl)piperidin-1-yl]-3-(2H-pyrrol-4-yl)propan-1-one?
1-[(3R)-3-(naphthalene-2-carbonyl)piperidin-1-yl]-3-(2H-pyrrol-4-yl)propan-1-one has a molecular weight of 360.46 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(naphthalene-2-carbonyl)piperidin-1-yl]-3-(2H-pyrrol-4-yl)propan-1-one is sourced from PubChem (CID 134594641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).