[1-(cyclopropylmethyl)-5-hydroxypiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone

C21H25NO3 — CID 121479056

IUPAC[1-(cyclopropylmethyl)-5-hydroxypiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)C3CC(O)CN(CC4CC4)C3)ccc2c1
InChIInChI=1S/C21H25NO3/c1-25-20-7-6-15-8-17(5-4-16(15)10-20)21(24)18-9-19(23)13-22(12-18)11-14-2-3-14/h4-8,10,14,18-19,23H,2-3,9,11-13H2,1H3
InChIKeyMPAINBYTLLUAJE-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.12
Rot. Bonds5

About [1-(cyclopropylmethyl)-5-hydroxypiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone

[1-(cyclopropylmethyl)-5-hydroxypiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone (PubChem CID 121479056) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)-5-hydroxypiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)-5-hydroxypiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
PubChem CID121479056
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name[1-(cyclopropylmethyl)-5-hydroxypiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)C3CC(O)CN(CC4CC4)C3)ccc2c1
InChIInChI=1S/C21H25NO3/c1-25-20-7-6-15-8-17(5-4-16(15)10-20)21(24)18-9-19(23)13-22(12-18)11-14-2-3-14/h4-8,10,14,18-19,23H,2-3,9,11-13H2,1H3
InChIKeyMPAINBYTLLUAJE-UHFFFAOYSA-N
XLogP3.12
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479157
acetylene;[1-(cyclopropylmethyl)-5-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;1-(cyclopropylmethyl)-4-(trifluoromethyl)piperidine;ethane;2-methoxy-6-methylnaphthalene
CID 145118786
[1-(2-fluoroethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479372
(E)-1-[1-(cyclopropylmethyl)piperidin-3-yl]-N-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine
CID 177313915
[4-cyclobutyl-1-(cyclobutylmethyl)piperazin-2-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 145118733
N-cyclopropyl-2-[3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]acetamide
CID 56919001
N-[2-[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]ethyl]acetamide
CID 97115600
[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 45228574
[1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxy-5-methylnaphthalen-2-yl)methanone
CID 121479074
3-(6-methoxynaphthalene-2-carbonyl)cyclopentan-1-one
CID 79638807
(6-bromonaphthalen-2-yl)-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]methanone
CID 121479163
2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 26042498

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)-5-hydroxypiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone?
The IUPAC name of [1-(cyclopropylmethyl)-5-hydroxypiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone (CID 121479056) is [1-(cyclopropylmethyl)-5-hydroxypiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone.
What is the SMILES notation for [1-(cyclopropylmethyl)-5-hydroxypiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone?
The canonical SMILES for [1-(cyclopropylmethyl)-5-hydroxypiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone is COc1ccc2cc(C(=O)C3CC(O)CN(CC4CC4)C3)ccc2c1.
What is the InChIKey of [1-(cyclopropylmethyl)-5-hydroxypiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone?
The InChIKey is MPAINBYTLLUAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-25-20-7-6-15-8-17(5-4-16(15)10-20)21(24)18-9-19(23)13-22(12-18)11-14-2-3-14/h4-8,10,14,18-19,23H,2-3,9,11-13H2,1H3.
What are the key properties of [1-(cyclopropylmethyl)-5-hydroxypiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone?
[1-(cyclopropylmethyl)-5-hydroxypiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone has a molecular weight of 339.44 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)-5-hydroxypiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone is sourced from PubChem (CID 121479056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).