4-methyl-N-naphthalen-2-ylpiperazine-2-carboxamide

C16H19N3O — CID 115177936

IUPAC4-methyl-N-naphthalen-2-ylpiperazine-2-carboxamide
SMILESCN1CCNC(C(=O)Nc2ccc3ccccc3c2)C1
InChIInChI=1S/C16H19N3O/c1-19-9-8-17-15(11-19)16(20)18-14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10,15,17H,8-9,11H2,1H3,(H,18,20)
InChIKeyONTVNRUAEXPJHU-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.68
Rot. Bonds2

About 4-methyl-N-naphthalen-2-ylpiperazine-2-carboxamide

4-methyl-N-naphthalen-2-ylpiperazine-2-carboxamide (PubChem CID 115177936) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-methyl-N-naphthalen-2-ylpiperazine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-naphthalen-2-ylpiperazine-2-carboxamide
PubChem CID115177936
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-methyl-N-naphthalen-2-ylpiperazine-2-carboxamide
SMILESCN1CCNC(C(=O)Nc2ccc3ccccc3c2)C1
InChIInChI=1S/C16H19N3O/c1-19-9-8-17-15(11-19)16(20)18-14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10,15,17H,8-9,11H2,1H3,(H,18,20)
InChIKeyONTVNRUAEXPJHU-UHFFFAOYSA-N
XLogP1.68
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 78832160
4-methyl-N-naphthalen-2-ylcyclohexane-1-carboxamide
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2-amino-N-naphthalen-2-ylcyclopropane-1-carboxamide
CID 55035485
N-[(2,4-difluorophenyl)methyl]-4-methylpiperazine-2-carboxamide
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4-(2-hydroxybenzoyl)-N-naphthalen-2-ylpiperazine-1-carboxamide
CID 78892976
(2R)-4-acetyl-N-(4-fluorophenyl)piperazine-2-carboxamide
CID 124987342
4-acetyl-N-(4-fluorophenyl)piperazine-2-carboxamide
CID 110086720
2-methyl-5-[1-(4-methylpiperazin-2-yl)ethenylamino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231750
(3R)-1-ethylsulfonyl-N-naphthalen-2-ylpiperidine-3-carboxamide
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N-[4-(1-methylpiperidin-4-yl)oxyphenyl]azetidine-2-carboxamide
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CID 63897643

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-naphthalen-2-ylpiperazine-2-carboxamide?
The IUPAC name of 4-methyl-N-naphthalen-2-ylpiperazine-2-carboxamide (CID 115177936) is 4-methyl-N-naphthalen-2-ylpiperazine-2-carboxamide.
What is the SMILES notation for 4-methyl-N-naphthalen-2-ylpiperazine-2-carboxamide?
The canonical SMILES for 4-methyl-N-naphthalen-2-ylpiperazine-2-carboxamide is CN1CCNC(C(=O)Nc2ccc3ccccc3c2)C1.
What is the InChIKey of 4-methyl-N-naphthalen-2-ylpiperazine-2-carboxamide?
The InChIKey is ONTVNRUAEXPJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-19-9-8-17-15(11-19)16(20)18-14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10,15,17H,8-9,11H2,1H3,(H,18,20).
What are the key properties of 4-methyl-N-naphthalen-2-ylpiperazine-2-carboxamide?
4-methyl-N-naphthalen-2-ylpiperazine-2-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-naphthalen-2-ylpiperazine-2-carboxamide is sourced from PubChem (CID 115177936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).