3-amino-N-[[1-(3-naphthalen-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide

C22H29N3O2 — CID 120579103

IUPAC3-amino-N-[[1-(3-naphthalen-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide
SMILESNCCC(=O)NCC1CCCCN1C(=O)CCc1ccc2ccccc2c1
InChIInChI=1S/C22H29N3O2/c23-13-12-21(26)24-16-20-7-3-4-14-25(20)22(27)11-9-17-8-10-18-5-1-2-6-19(18)15-17/h1-2,5-6,8,10,15,20H,3-4,7,9,11-14,16,23H2,(H,24,26)
InChIKeyIMNNFSUMQLCKKJ-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.62
Rot. Bonds7

About 3-amino-N-[[1-(3-naphthalen-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide

3-amino-N-[[1-(3-naphthalen-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide (PubChem CID 120579103) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 3-amino-N-[[1-(3-naphthalen-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[1-(3-naphthalen-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide
PubChem CID120579103
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name3-amino-N-[[1-(3-naphthalen-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide
SMILESNCCC(=O)NCC1CCCCN1C(=O)CCc1ccc2ccccc2c1
InChIInChI=1S/C22H29N3O2/c23-13-12-21(26)24-16-20-7-3-4-14-25(20)22(27)11-9-17-8-10-18-5-1-2-6-19(18)15-17/h1-2,5-6,8,10,15,20H,3-4,7,9,11-14,16,23H2,(H,24,26)
InChIKeyIMNNFSUMQLCKKJ-UHFFFAOYSA-N
XLogP2.62
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[1-(naphthalen-2-ylmethyl)piperidin-2-yl]methyl]propanamide
CID 120581409
3-amino-N-[[1-(4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide
CID 120579429
3-amino-N-[[1-(2-naphthalen-2-ylcyclopropanecarbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578692
3-amino-N-[[1-[3-(2-methoxyphenyl)propanoyl]piperidin-2-yl]methyl]propanamide
CID 120578219
3-amino-N-[[1-(3-pyridin-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide
CID 120578303
3-amino-N-[[1-(2-naphthalen-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide
CID 120579611
3-amino-N-[[1-[2-(4-chlorophenyl)acetyl]piperidin-2-yl]methyl]propanamide
CID 120578635
3-amino-N-[[1-(4-oxo-4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579480
3-amino-N-[[1-[2-(4-bromophenyl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578254
3-amino-N-[[1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579244
3-amino-N-[[1-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578888
3-amino-N-[[1-[3-(2-fluorophenoxy)propanoyl]piperidin-2-yl]methyl]propanamide
CID 120580345

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(3-naphthalen-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[1-(3-naphthalen-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide (CID 120579103) is 3-amino-N-[[1-(3-naphthalen-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[1-(3-naphthalen-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[1-(3-naphthalen-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide is NCCC(=O)NCC1CCCCN1C(=O)CCc1ccc2ccccc2c1.
What is the InChIKey of 3-amino-N-[[1-(3-naphthalen-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide?
The InChIKey is IMNNFSUMQLCKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c23-13-12-21(26)24-16-20-7-3-4-14-25(20)22(27)11-9-17-8-10-18-5-1-2-6-19(18)15-17/h1-2,5-6,8,10,15,20H,3-4,7,9,11-14,16,23H2,(H,24,26).
What are the key properties of 3-amino-N-[[1-(3-naphthalen-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide?
3-amino-N-[[1-(3-naphthalen-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide has a molecular weight of 367.49 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(3-naphthalen-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide is sourced from PubChem (CID 120579103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).