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

C22H29N3O2 — CID 120579611

IUPAC3-amino-N-[[1-(2-naphthalen-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide
SMILESCC(C(=O)N1CCCCC1CNC(=O)CCN)c1ccc2ccccc2c1
InChIInChI=1S/C22H29N3O2/c1-16(18-10-9-17-6-2-3-7-19(17)14-18)22(27)25-13-5-4-8-20(25)15-24-21(26)11-12-23/h2-3,6-7,9-10,14,16,20H,4-5,8,11-13,15,23H2,1H3,(H,24,26)
InChIKeyGBXWTCCUDNYILC-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.79
Rot. Bonds6

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

3-amino-N-[[1-(2-naphthalen-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide (PubChem CID 120579611) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 3-amino-N-[[1-(2-naphthalen-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[1-(2-naphthalen-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide
PubChem CID120579611
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name3-amino-N-[[1-(2-naphthalen-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide
SMILESCC(C(=O)N1CCCCC1CNC(=O)CCN)c1ccc2ccccc2c1
InChIInChI=1S/C22H29N3O2/c1-16(18-10-9-17-6-2-3-7-19(17)14-18)22(27)25-13-5-4-8-20(25)15-24-21(26)11-12-23/h2-3,6-7,9-10,14,16,20H,4-5,8,11-13,15,23H2,1H3,(H,24,26)
InChIKeyGBXWTCCUDNYILC-UHFFFAOYSA-N
XLogP2.79
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[1-[2-(3-chlorophenyl)propanoyl]piperidin-2-yl]methyl]propanamide
CID 120579881
(2R)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-naphthalen-2-ylpropan-1-one
CID 99634273
3-amino-N-[[1-(3-naphthalen-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide
CID 120579103
3-amino-N-[[1-(2-naphthalen-2-ylcyclopropanecarbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578692
3-amino-N-[[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]piperidin-2-yl]methyl]propanamide
CID 120578975
3-amino-N-[[1-(2-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579366
3-amino-N-[[1-(naphthalen-2-ylmethyl)piperidin-2-yl]methyl]propanamide
CID 120581409
3-amino-N-[[1-[2-methyl-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-2-yl]methyl]propanamide
CID 120579027
3-amino-N-[[1-(2-methylpentanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579826
3-amino-N-[[1-(2-phenylpropyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120910963
3-amino-N-[(1-naphthalen-2-ylsulfonylpiperidin-2-yl)methyl]propanamide;hydrochloride
CID 120584760
3-amino-N-[[1-[2-(2-methylpropylsulfonyl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578118

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(2-naphthalen-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[1-(2-naphthalen-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide (CID 120579611) is 3-amino-N-[[1-(2-naphthalen-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[1-(2-naphthalen-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[1-(2-naphthalen-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide is CC(C(=O)N1CCCCC1CNC(=O)CCN)c1ccc2ccccc2c1.
What is the InChIKey of 3-amino-N-[[1-(2-naphthalen-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide?
The InChIKey is GBXWTCCUDNYILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-16(18-10-9-17-6-2-3-7-19(17)14-18)22(27)25-13-5-4-8-20(25)15-24-21(26)11-12-23/h2-3,6-7,9-10,14,16,20H,4-5,8,11-13,15,23H2,1H3,(H,24,26).
What are the key properties of 3-amino-N-[[1-(2-naphthalen-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide?
3-amino-N-[[1-(2-naphthalen-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide has a molecular weight of 367.49 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(2-naphthalen-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide is sourced from PubChem (CID 120579611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).