1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one

C22H30N2O2 — CID 119645365

IUPAC1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
SMILESCCNCC1CCN(C(=O)C(C)c2ccc3cc(OC)ccc3c2)CC1
InChIInChI=1S/C22H30N2O2/c1-4-23-15-17-9-11-24(12-10-17)22(25)16(2)18-5-6-20-14-21(26-3)8-7-19(20)13-18/h5-8,13-14,16-17,23H,4,9-12,15H2,1-3H3
InChIKeyZBEFPDFLNKEKFF-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.80
Rot. Bonds6

About 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one

1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one (PubChem CID 119645365) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
PubChem CID119645365
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
SMILESCCNCC1CCN(C(=O)C(C)c2ccc3cc(OC)ccc3c2)CC1
InChIInChI=1S/C22H30N2O2/c1-4-23-15-17-9-11-24(12-10-17)22(25)16(2)18-5-6-20-14-21(26-3)8-7-19(20)13-18/h5-8,13-14,16-17,23H,4,9-12,15H2,1-3H3
InChIKeyZBEFPDFLNKEKFF-UHFFFAOYSA-N
XLogP3.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminopiperidin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride
CID 119373948
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 119410402
1-(3-aminopiperidin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride
CID 119378452
(2S)-2-(6-methoxynaphthalen-2-yl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one
CID 18292919
N-[[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 80550847
N-cyclopropyl-1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-3-carboxamide
CID 49352371
N-(1,3-benzodioxol-5-yl)-1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-4-carboxamide
CID 41411139
1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55940211
N-[2-(ethylamino)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 119505947
(2R)-1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 25383842
N-[[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methyl]ethanamine
CID 119927809
(2-bromo-5-methoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80550754

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one?
The IUPAC name of 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one (CID 119645365) is 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one.
What is the SMILES notation for 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one?
The canonical SMILES for 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one is CCNCC1CCN(C(=O)C(C)c2ccc3cc(OC)ccc3c2)CC1.
What is the InChIKey of 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one?
The InChIKey is ZBEFPDFLNKEKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-4-23-15-17-9-11-24(12-10-17)22(25)16(2)18-5-6-20-14-21(26-3)8-7-19(20)13-18/h5-8,13-14,16-17,23H,4,9-12,15H2,1-3H3.
What are the key properties of 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one?
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one has a molecular weight of 354.49 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one is sourced from PubChem (CID 119645365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).