3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-1-(2-ethylpiperidin-1-yl)propan-1-one

C24H32N2O — CID 84562978

IUPAC3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-1-(2-ethylpiperidin-1-yl)propan-1-one
SMILESCCC1CCCCN1C(=O)CCN(Cc1cccc2ccccc12)C1CC1
InChIInChI=1S/C24H32N2O/c1-2-21-11-5-6-16-26(21)24(27)15-17-25(22-13-14-22)18-20-10-7-9-19-8-3-4-12-23(19)20/h3-4,7-10,12,21-22H,2,5-6,11,13-18H2,1H3
InChIKeyOIPNZMDOEVNGQH-UHFFFAOYSA-N
MW364.53 g/mol
LogP4.99
Rot. Bonds7

About 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-1-(2-ethylpiperidin-1-yl)propan-1-one

3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-1-(2-ethylpiperidin-1-yl)propan-1-one (PubChem CID 84562978) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-1-(2-ethylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-1-(2-ethylpiperidin-1-yl)propan-1-one
PubChem CID84562978
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC Name3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-1-(2-ethylpiperidin-1-yl)propan-1-one
SMILESCCC1CCCCN1C(=O)CCN(Cc1cccc2ccccc12)C1CC1
InChIInChI=1S/C24H32N2O/c1-2-21-11-5-6-16-26(21)24(27)15-17-25(22-13-14-22)18-20-10-7-9-19-8-3-4-12-23(19)20/h3-4,7-10,12,21-22H,2,5-6,11,13-18H2,1H3
InChIKeyOIPNZMDOEVNGQH-UHFFFAOYSA-N
XLogP4.99
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-1-(2-methylpiperidin-1-yl)propan-1-one
CID 84562994
N-butyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide
CID 84567191
N-benzyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-methylpropanamide
CID 84562999
1-(5-acetyl-2,3-dihydroindol-1-yl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propan-1-one
CID 84563577
1-(2-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 112695780
N-(2,6-dimethylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113124884
N-(2,6-dichlorophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113134208
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113121783
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-(2-methylphenyl)acetamide
CID 113123611
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(3-ethoxy-2-pyridinyl)propanamide
CID 84565019
N-(3-bromophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113132644
N-(2,3-dichlorophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113134315

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-1-(2-ethylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-1-(2-ethylpiperidin-1-yl)propan-1-one (CID 84562978) is 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-1-(2-ethylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-1-(2-ethylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-1-(2-ethylpiperidin-1-yl)propan-1-one is CCC1CCCCN1C(=O)CCN(Cc1cccc2ccccc12)C1CC1.
What is the InChIKey of 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-1-(2-ethylpiperidin-1-yl)propan-1-one?
The InChIKey is OIPNZMDOEVNGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O/c1-2-21-11-5-6-16-26(21)24(27)15-17-25(22-13-14-22)18-20-10-7-9-19-8-3-4-12-23(19)20/h3-4,7-10,12,21-22H,2,5-6,11,13-18H2,1H3.
What are the key properties of 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-1-(2-ethylpiperidin-1-yl)propan-1-one?
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-1-(2-ethylpiperidin-1-yl)propan-1-one has a molecular weight of 364.53 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-1-(2-ethylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 84562978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).