N-[1-(methylamino)-3-naphthalen-1-yl-1-oxopropan-2-yl]piperidine-4-carboxamide

C20H25N3O2 — CID 143760622

IUPACN-[1-(methylamino)-3-naphthalen-1-yl-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESCNC(=O)C(Cc1cccc2ccccc12)NC(=O)C1CCNCC1
InChIInChI=1S/C20H25N3O2/c1-21-20(25)18(23-19(24)15-9-11-22-12-10-15)13-16-7-4-6-14-5-2-3-8-17(14)16/h2-8,15,18,22H,9-13H2,1H3,(H,21,25)(H,23,24)
InChIKeyHYGFNVAIMAZIEU-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.61
Rot. Bonds5

About N-[1-(methylamino)-3-naphthalen-1-yl-1-oxopropan-2-yl]piperidine-4-carboxamide

N-[1-(methylamino)-3-naphthalen-1-yl-1-oxopropan-2-yl]piperidine-4-carboxamide (PubChem CID 143760622) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[1-(methylamino)-3-naphthalen-1-yl-1-oxopropan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(methylamino)-3-naphthalen-1-yl-1-oxopropan-2-yl]piperidine-4-carboxamide
PubChem CID143760622
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[1-(methylamino)-3-naphthalen-1-yl-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESCNC(=O)C(Cc1cccc2ccccc12)NC(=O)C1CCNCC1
InChIInChI=1S/C20H25N3O2/c1-21-20(25)18(23-19(24)15-9-11-22-12-10-15)13-16-7-4-6-14-5-2-3-8-17(14)16/h2-8,15,18,22H,9-13H2,1H3,(H,21,25)(H,23,24)
InChIKeyHYGFNVAIMAZIEU-UHFFFAOYSA-N
XLogP1.61
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(methylamino)-3-naphthalen-1-yl-1-oxopropan-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-[1-(methylamino)-3-naphthalen-1-yl-1-oxopropan-2-yl]piperidine-4-carboxamide (CID 143760622) is N-[1-(methylamino)-3-naphthalen-1-yl-1-oxopropan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(methylamino)-3-naphthalen-1-yl-1-oxopropan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[1-(methylamino)-3-naphthalen-1-yl-1-oxopropan-2-yl]piperidine-4-carboxamide is CNC(=O)C(Cc1cccc2ccccc12)NC(=O)C1CCNCC1.
What is the InChIKey of N-[1-(methylamino)-3-naphthalen-1-yl-1-oxopropan-2-yl]piperidine-4-carboxamide?
The InChIKey is HYGFNVAIMAZIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-21-20(25)18(23-19(24)15-9-11-22-12-10-15)13-16-7-4-6-14-5-2-3-8-17(14)16/h2-8,15,18,22H,9-13H2,1H3,(H,21,25)(H,23,24).
What are the key properties of N-[1-(methylamino)-3-naphthalen-1-yl-1-oxopropan-2-yl]piperidine-4-carboxamide?
N-[1-(methylamino)-3-naphthalen-1-yl-1-oxopropan-2-yl]piperidine-4-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methylamino)-3-naphthalen-1-yl-1-oxopropan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 143760622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).