3-[1-[3-(naphthalen-1-ylamino)-3-oxopropyl]piperidin-4-yl]propanoic acid

C21H26N2O3 — CID 146107417

IUPAC3-[1-[3-(naphthalen-1-ylamino)-3-oxopropyl]piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(CCC(=O)Nc2cccc3ccccc23)CC1
InChIInChI=1S/C21H26N2O3/c24-20(22-19-7-3-5-17-4-1-2-6-18(17)19)12-15-23-13-10-16(11-14-23)8-9-21(25)26/h1-7,16H,8-15H2,(H,22,24)(H,25,26)
InChIKeyCIRIWRJWTAXQAZ-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.75
Rot. Bonds7

About 3-[1-[3-(naphthalen-1-ylamino)-3-oxopropyl]piperidin-4-yl]propanoic acid

3-[1-[3-(naphthalen-1-ylamino)-3-oxopropyl]piperidin-4-yl]propanoic acid (PubChem CID 146107417) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-[1-[3-(naphthalen-1-ylamino)-3-oxopropyl]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[3-(naphthalen-1-ylamino)-3-oxopropyl]piperidin-4-yl]propanoic acid
PubChem CID146107417
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name3-[1-[3-(naphthalen-1-ylamino)-3-oxopropyl]piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(CCC(=O)Nc2cccc3ccccc23)CC1
InChIInChI=1S/C21H26N2O3/c24-20(22-19-7-3-5-17-4-1-2-6-18(17)19)12-15-23-13-10-16(11-14-23)8-9-21(25)26/h1-7,16H,8-15H2,(H,22,24)(H,25,26)
InChIKeyCIRIWRJWTAXQAZ-UHFFFAOYSA-N
XLogP3.75
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-benzoylpiperidin-1-yl)-N-naphthalen-1-ylpropanamide
CID 33215004
N-naphthalen-1-yl-3-(3-piperidin-1-ylazetidin-1-yl)propanamide
CID 91830165
N-naphthalen-1-yl-3-[4-(piperazine-1-carbonyl)piperazin-1-yl]propanamide
CID 154866210
3-cyclohexyl-N-[5-(3-cyclohexylpropanoylamino)naphthalen-1-yl]propanamide
CID 27126992
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
3-(2-methylmorpholin-4-yl)-N-naphthalen-1-ylpropanamide
CID 46683190
3-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide
CID 30737698
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 111332577
3-(4-aminopiperidin-1-yl)-N-(2-chlorophenyl)propanamide
CID 43556671
3-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 109032554
3-[1-[3-oxo-3-(propan-2-ylamino)propyl]piperidin-4-yl]propanoic acid
CID 62627528
N-(2-aminophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 16793627

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(naphthalen-1-ylamino)-3-oxopropyl]piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-[3-(naphthalen-1-ylamino)-3-oxopropyl]piperidin-4-yl]propanoic acid (CID 146107417) is 3-[1-[3-(naphthalen-1-ylamino)-3-oxopropyl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[3-(naphthalen-1-ylamino)-3-oxopropyl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[3-(naphthalen-1-ylamino)-3-oxopropyl]piperidin-4-yl]propanoic acid is O=C(O)CCC1CCN(CCC(=O)Nc2cccc3ccccc23)CC1.
What is the InChIKey of 3-[1-[3-(naphthalen-1-ylamino)-3-oxopropyl]piperidin-4-yl]propanoic acid?
The InChIKey is CIRIWRJWTAXQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c24-20(22-19-7-3-5-17-4-1-2-6-18(17)19)12-15-23-13-10-16(11-14-23)8-9-21(25)26/h1-7,16H,8-15H2,(H,22,24)(H,25,26).
What are the key properties of 3-[1-[3-(naphthalen-1-ylamino)-3-oxopropyl]piperidin-4-yl]propanoic acid?
3-[1-[3-(naphthalen-1-ylamino)-3-oxopropyl]piperidin-4-yl]propanoic acid has a molecular weight of 354.45 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(naphthalen-1-ylamino)-3-oxopropyl]piperidin-4-yl]propanoic acid is sourced from PubChem (CID 146107417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).