[(3S)-1-cyclobutylpiperidin-3-yl]-naphthalen-1-ylmethanone

C20H23NO — CID 42357685

IUPAC[(3S)-1-cyclobutylpiperidin-3-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)[C@H]1CCCN(C2CCC2)C1
InChIInChI=1S/C20H23NO/c22-20(16-8-5-13-21(14-16)17-9-4-10-17)19-12-3-7-15-6-1-2-11-18(15)19/h1-3,6-7,11-12,16-17H,4-5,8-10,13-14H2/t16-/m0/s1
InChIKeyYZZZCDZBYLHNLN-INIZCTEOSA-N
MW293.41 g/mol
LogP4.29
Rot. Bonds3

About [(3S)-1-cyclobutylpiperidin-3-yl]-naphthalen-1-ylmethanone

[(3S)-1-cyclobutylpiperidin-3-yl]-naphthalen-1-ylmethanone (PubChem CID 42357685) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is [(3S)-1-cyclobutylpiperidin-3-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[(3S)-1-cyclobutylpiperidin-3-yl]-naphthalen-1-ylmethanone
PubChem CID42357685
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name[(3S)-1-cyclobutylpiperidin-3-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)[C@H]1CCCN(C2CCC2)C1
InChIInChI=1S/C20H23NO/c22-20(16-8-5-13-21(14-16)17-9-4-10-17)19-12-3-7-15-6-1-2-11-18(15)19/h1-3,6-7,11-12,16-17H,4-5,8-10,13-14H2/t16-/m0/s1
InChIKeyYZZZCDZBYLHNLN-INIZCTEOSA-N
XLogP4.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-1-(2-hydroxybenzoyl)piperidin-3-yl]-naphthalen-1-ylmethanone
CID 95728859
3-methyl-1-[(3R)-3-(naphthalene-1-carbonyl)piperidin-1-yl]but-2-en-1-one
CID 25372306
[1-(3-methylbenzoyl)piperidin-3-yl]-naphthalen-1-ylmethanone
CID 45202126
1-[(3S)-3-(naphthalene-1-carbonyl)piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one
CID 42217114
1-[3-[[(3R)-3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl]phenyl]ethanone
CID 42565190
(1-cyclopentylpiperidin-3-yl)-[4-(1-hydroxyethyl)naphthalen-2-yl]methanone
CID 121479288
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-naphthalen-1-ylmethanone
CID 115997804
(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid
CID 7131658
1,4-diazabicyclo[2.2.2]octan-2-yl(naphthalen-1-yl)methanone
CID 79960184
naphthalen-1-yl-(1-propan-2-ylpiperidin-4-yl)methanone
CID 144874180
[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone
CID 45226774
5,6-dimethyl-3-[(3S)-3-(naphthalene-1-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 25305199

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-cyclobutylpiperidin-3-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [(3S)-1-cyclobutylpiperidin-3-yl]-naphthalen-1-ylmethanone (CID 42357685) is [(3S)-1-cyclobutylpiperidin-3-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [(3S)-1-cyclobutylpiperidin-3-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [(3S)-1-cyclobutylpiperidin-3-yl]-naphthalen-1-ylmethanone is O=C(c1cccc2ccccc12)[C@H]1CCCN(C2CCC2)C1.
What is the InChIKey of [(3S)-1-cyclobutylpiperidin-3-yl]-naphthalen-1-ylmethanone?
The InChIKey is YZZZCDZBYLHNLN-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23NO/c22-20(16-8-5-13-21(14-16)17-9-4-10-17)19-12-3-7-15-6-1-2-11-18(15)19/h1-3,6-7,11-12,16-17H,4-5,8-10,13-14H2/t16-/m0/s1.
What are the key properties of [(3S)-1-cyclobutylpiperidin-3-yl]-naphthalen-1-ylmethanone?
[(3S)-1-cyclobutylpiperidin-3-yl]-naphthalen-1-ylmethanone has a molecular weight of 293.41 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-cyclobutylpiperidin-3-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 42357685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).