3-methyl-2-[2-(2-piperidin-1-ylethyl)naphthalen-1-yl]butanamide

C22H30N2O — CID 21117750

IUPAC3-methyl-2-[2-(2-piperidin-1-ylethyl)naphthalen-1-yl]butanamide
SMILESCC(C)C(C(N)=O)c1c(CCN2CCCCC2)ccc2ccccc12
InChIInChI=1S/C22H30N2O/c1-16(2)20(22(23)25)21-18(12-15-24-13-6-3-7-14-24)11-10-17-8-4-5-9-19(17)21/h4-5,8-11,16,20H,3,6-7,12-15H2,1-2H3,(H2,23,25)
InChIKeyBOCLVUIUDYTKLG-UHFFFAOYSA-N
MW338.50 g/mol
LogP4.09
Rot. Bonds6

About 3-methyl-2-[2-(2-piperidin-1-ylethyl)naphthalen-1-yl]butanamide

3-methyl-2-[2-(2-piperidin-1-ylethyl)naphthalen-1-yl]butanamide (PubChem CID 21117750) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 3-methyl-2-[2-(2-piperidin-1-ylethyl)naphthalen-1-yl]butanamide.

Molecular Properties

Compound Name3-methyl-2-[2-(2-piperidin-1-ylethyl)naphthalen-1-yl]butanamide
PubChem CID21117750
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name3-methyl-2-[2-(2-piperidin-1-ylethyl)naphthalen-1-yl]butanamide
SMILESCC(C)C(C(N)=O)c1c(CCN2CCCCC2)ccc2ccccc12
InChIInChI=1S/C22H30N2O/c1-16(2)20(22(23)25)21-18(12-15-24-13-6-3-7-14-24)11-10-17-8-4-5-9-19(17)21/h4-5,8-11,16,20H,3,6-7,12-15H2,1-2H3,(H2,23,25)
InChIKeyBOCLVUIUDYTKLG-UHFFFAOYSA-N
XLogP4.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-piperidin-1-ylethyl)naphthalen-1-yl]acetic acid;hydrochloride
CID 21127072
2-(2-pyrrolidin-1-ylethyl)naphthalen-1-ol
CID 174438456
2-phenyl-N'-(2-piperidin-1-ylethyl)-3-[2-(2-pyrrolidin-1-ylethyl)phenyl]butanediamide
CID 91391811
2-(3-pyrrolidin-1-ylpropyl)naphthalen-1-ol
CID 15617933
2-[2-(2-morpholin-4-ylethyl)naphthalen-1-yl]acetic acid
CID 21127043
2-[2-(azocan-1-yl)ethyl]aniline
CID 62495227
1-[2-(2-propylnaphthalen-1-yl)oxyethyl]piperidine chloride
CID 21228753
1-amino-3-(2-piperidin-1-ylethyl)quinolin-2-one
CID 66900373
1-(2-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 82052523
2,3-dimethyl-5-piperidin-1-ylpentanamide
CID 123521820
1-[2-(2-methyl-3-propan-2-ylphenyl)ethyl]piperidine
CID 177292070
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-(2-piperidin-1-ylethyl)naphthalen-1-yl]butanamide?
The IUPAC name of 3-methyl-2-[2-(2-piperidin-1-ylethyl)naphthalen-1-yl]butanamide (CID 21117750) is 3-methyl-2-[2-(2-piperidin-1-ylethyl)naphthalen-1-yl]butanamide.
What is the SMILES notation for 3-methyl-2-[2-(2-piperidin-1-ylethyl)naphthalen-1-yl]butanamide?
The canonical SMILES for 3-methyl-2-[2-(2-piperidin-1-ylethyl)naphthalen-1-yl]butanamide is CC(C)C(C(N)=O)c1c(CCN2CCCCC2)ccc2ccccc12.
What is the InChIKey of 3-methyl-2-[2-(2-piperidin-1-ylethyl)naphthalen-1-yl]butanamide?
The InChIKey is BOCLVUIUDYTKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-16(2)20(22(23)25)21-18(12-15-24-13-6-3-7-14-24)11-10-17-8-4-5-9-19(17)21/h4-5,8-11,16,20H,3,6-7,12-15H2,1-2H3,(H2,23,25).
What are the key properties of 3-methyl-2-[2-(2-piperidin-1-ylethyl)naphthalen-1-yl]butanamide?
3-methyl-2-[2-(2-piperidin-1-ylethyl)naphthalen-1-yl]butanamide has a molecular weight of 338.50 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-(2-piperidin-1-ylethyl)naphthalen-1-yl]butanamide is sourced from PubChem (CID 21117750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).