4-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-4-oxobutanamide

C20H22N2O3 — CID 45220396

IUPAC4-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-4-oxobutanamide
SMILESNC(=O)CCC(=O)N1CCCC(C(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C20H22N2O3/c21-18(23)9-10-19(24)22-11-3-6-17(13-22)20(25)16-8-7-14-4-1-2-5-15(14)12-16/h1-2,4-5,7-8,12,17H,3,6,9-11,13H2,(H2,21,23)
InChIKeyKNNRXZITGQTEFH-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.53
Rot. Bonds5

About 4-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-4-oxobutanamide

4-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-4-oxobutanamide (PubChem CID 45220396) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-4-oxobutanamide.

Molecular Properties

Compound Name4-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-4-oxobutanamide
PubChem CID45220396
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name4-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-4-oxobutanamide
SMILESNC(=O)CCC(=O)N1CCCC(C(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C20H22N2O3/c21-18(23)9-10-19(24)22-11-3-6-17(13-22)20(25)16-8-7-14-4-1-2-5-15(14)12-16/h1-2,4-5,7-8,12,17H,3,6,9-11,13H2,(H2,21,23)
InChIKeyKNNRXZITGQTEFH-UHFFFAOYSA-N
XLogP2.53
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-(naphthalene-2-carbonyl)piperidin-1-yl]-3-(2H-pyrrol-4-yl)propan-1-one
CID 134594641
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-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone
CID 24790219
[(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone
CID 26319479
[1-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone
CID 45245706
6-[(3R)-3-(naphthalene-2-carbonyl)piperidin-1-yl]pyrazine-2-carboxamide
CID 95524992
naphthalen-2-yl-[(3R)-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
CID 25281752
ethyl (3S)-1-(naphthalene-2-carbonyl)piperidine-3-carboxylate
CID 26710230
4-[(3R)-3-benzoylpiperidin-1-yl]-4-oxobutane-1-sulfonamide
CID 95223490
[2-[(3S)-3-(3-fluoro-4-phenylbenzoyl)piperidin-1-yl]-2-oxoethyl]urea
CID 95709449
[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-3-yl]-naphthalen-2-ylmethanone
CID 45248371

Frequently Asked Questions

What is the IUPAC name of 4-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-4-oxobutanamide?
The IUPAC name of 4-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-4-oxobutanamide (CID 45220396) is 4-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-4-oxobutanamide.
What is the SMILES notation for 4-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-4-oxobutanamide?
The canonical SMILES for 4-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-4-oxobutanamide is NC(=O)CCC(=O)N1CCCC(C(=O)c2ccc3ccccc3c2)C1.
What is the InChIKey of 4-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-4-oxobutanamide?
The InChIKey is KNNRXZITGQTEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c21-18(23)9-10-19(24)22-11-3-6-17(13-22)20(25)16-8-7-14-4-1-2-5-15(14)12-16/h1-2,4-5,7-8,12,17H,3,6,9-11,13H2,(H2,21,23).
What are the key properties of 4-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-4-oxobutanamide?
4-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-4-oxobutanamide has a molecular weight of 338.41 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-4-oxobutanamide is sourced from PubChem (CID 45220396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).