(1-cyclopentylpiperidin-3-yl)-(7-ethyl-6,7-dihydronaphthalen-2-yl)methanone

C23H31NO — CID 145118852

IUPAC(1-cyclopentylpiperidin-3-yl)-(7-ethyl-6,7-dihydronaphthalen-2-yl)methanone
SMILESCCC1C=c2cc(C(=O)C3CCCN(C4CCCC4)C3)ccc2=CC1
InChIInChI=1S/C23H31NO/c1-2-17-9-10-18-11-12-19(15-21(18)14-17)23(25)20-6-5-13-24(16-20)22-7-3-4-8-22/h10-12,14-15,17,20,22H,2-9,13,16H2,1H3
InChIKeyCFJWEFVRWRGTQH-UHFFFAOYSA-N
MW337.51 g/mol
LogP3.51
Rot. Bonds4

About (1-cyclopentylpiperidin-3-yl)-(7-ethyl-6,7-dihydronaphthalen-2-yl)methanone

(1-cyclopentylpiperidin-3-yl)-(7-ethyl-6,7-dihydronaphthalen-2-yl)methanone (PubChem CID 145118852) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is (1-cyclopentylpiperidin-3-yl)-(7-ethyl-6,7-dihydronaphthalen-2-yl)methanone.

Molecular Properties

Compound Name(1-cyclopentylpiperidin-3-yl)-(7-ethyl-6,7-dihydronaphthalen-2-yl)methanone
PubChem CID145118852
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name(1-cyclopentylpiperidin-3-yl)-(7-ethyl-6,7-dihydronaphthalen-2-yl)methanone
SMILESCCC1C=c2cc(C(=O)C3CCCN(C4CCCC4)C3)ccc2=CC1
InChIInChI=1S/C23H31NO/c1-2-17-9-10-18-11-12-19(15-21(18)14-17)23(25)20-6-5-13-24(16-20)22-7-3-4-8-22/h10-12,14-15,17,20,22H,2-9,13,16H2,1H3
InChIKeyCFJWEFVRWRGTQH-UHFFFAOYSA-N
XLogP3.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-cyclopentylpiperidin-3-yl)-(6-methylsulfinylnaphthalen-2-yl)methanone
CID 145118573
(1-cyclopentylpiperidin-3-yl)-[4-(1-hydroxyethyl)naphthalen-2-yl]methanone
CID 121479288
[(3S)-1-cyclobutylpiperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 25456675
[(3R)-1-cyclopentylpiperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 25279925
[(3S)-1-cyclobutylpiperidin-3-yl]-(5-ethyl-6-methoxynaphthalen-2-yl)methanone;ethane
CID 145118967
[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 45206649
[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 29258112
(1-cyclobutylpiperidin-3-yl)-[4-(1-hydroxyethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]methanone
CID 138739975
ethyl 4-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]piperidine-1-carboxylate
CID 45177097
[1-(1-ethylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
CID 45195996
[1-(1,4-dithiepan-6-yl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 45198049
[(3S)-1-cyclobutylpiperidin-3-yl]-naphthalen-1-ylmethanone
CID 42357685

Frequently Asked Questions

What is the IUPAC name of (1-cyclopentylpiperidin-3-yl)-(7-ethyl-6,7-dihydronaphthalen-2-yl)methanone?
The IUPAC name of (1-cyclopentylpiperidin-3-yl)-(7-ethyl-6,7-dihydronaphthalen-2-yl)methanone (CID 145118852) is (1-cyclopentylpiperidin-3-yl)-(7-ethyl-6,7-dihydronaphthalen-2-yl)methanone.
What is the SMILES notation for (1-cyclopentylpiperidin-3-yl)-(7-ethyl-6,7-dihydronaphthalen-2-yl)methanone?
The canonical SMILES for (1-cyclopentylpiperidin-3-yl)-(7-ethyl-6,7-dihydronaphthalen-2-yl)methanone is CCC1C=c2cc(C(=O)C3CCCN(C4CCCC4)C3)ccc2=CC1.
What is the InChIKey of (1-cyclopentylpiperidin-3-yl)-(7-ethyl-6,7-dihydronaphthalen-2-yl)methanone?
The InChIKey is CFJWEFVRWRGTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO/c1-2-17-9-10-18-11-12-19(15-21(18)14-17)23(25)20-6-5-13-24(16-20)22-7-3-4-8-22/h10-12,14-15,17,20,22H,2-9,13,16H2,1H3.
What are the key properties of (1-cyclopentylpiperidin-3-yl)-(7-ethyl-6,7-dihydronaphthalen-2-yl)methanone?
(1-cyclopentylpiperidin-3-yl)-(7-ethyl-6,7-dihydronaphthalen-2-yl)methanone has a molecular weight of 337.51 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopentylpiperidin-3-yl)-(7-ethyl-6,7-dihydronaphthalen-2-yl)methanone is sourced from PubChem (CID 145118852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).