2,2-dimethyl-N-naphthalen-1-ylpiperazine-1-carboxamide

C17H21N3O — CID 65460543

IUPAC2,2-dimethyl-N-naphthalen-1-ylpiperazine-1-carboxamide
SMILESCC1(C)CNCCN1C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C17H21N3O/c1-17(2)12-18-10-11-20(17)16(21)19-15-9-5-7-13-6-3-4-8-14(13)15/h3-9,18H,10-12H2,1-2H3,(H,19,21)
InChIKeyLFIHCPIOESSVGL-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.06
Rot. Bonds1

About 2,2-dimethyl-N-naphthalen-1-ylpiperazine-1-carboxamide

2,2-dimethyl-N-naphthalen-1-ylpiperazine-1-carboxamide (PubChem CID 65460543) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-naphthalen-1-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-naphthalen-1-ylpiperazine-1-carboxamide
PubChem CID65460543
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2,2-dimethyl-N-naphthalen-1-ylpiperazine-1-carboxamide
SMILESCC1(C)CNCCN1C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C17H21N3O/c1-17(2)12-18-10-11-20(17)16(21)19-15-9-5-7-13-6-3-4-8-14(13)15/h3-9,18H,10-12H2,1-2H3,(H,19,21)
InChIKeyLFIHCPIOESSVGL-UHFFFAOYSA-N
XLogP3.06
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-N-naphthalen-1-yl-2-sulfanylideneimidazolidine-1-carboxamide
CID 134115980
N-naphthalen-1-yl-2-piperazin-1-ylpropanamide
CID 43089580
2-methyl-N-naphthalen-1-ylpiperidine-2-carboxamide
CID 104596031
methyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate
CID 108884718
1-(2,2-dimethylpiperazin-1-yl)-3-(2-methylphenyl)propan-1-one
CID 65460524
1-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-3-naphthalen-1-ylurea
CID 124523480
N-naphthalen-1-yl-4-(4,4,4-trifluorobutanoyl)-1,4-diazepane-1-carboxamide
CID 67493528
2,2-dimethyl-N-propylpiperazine-1-carboxamide
CID 65460942
(3S,4R)-3,4-dihydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 79411310
4-formyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 3736870
3-hydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 62918134
2-(3-methylsulfanylpropanoyl)-N-naphthalen-1-ylpyrazolidine-1-carboxamide
CID 3749084

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-naphthalen-1-ylpiperazine-1-carboxamide?
The IUPAC name of 2,2-dimethyl-N-naphthalen-1-ylpiperazine-1-carboxamide (CID 65460543) is 2,2-dimethyl-N-naphthalen-1-ylpiperazine-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-naphthalen-1-ylpiperazine-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-naphthalen-1-ylpiperazine-1-carboxamide is CC1(C)CNCCN1C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 2,2-dimethyl-N-naphthalen-1-ylpiperazine-1-carboxamide?
The InChIKey is LFIHCPIOESSVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-17(2)12-18-10-11-20(17)16(21)19-15-9-5-7-13-6-3-4-8-14(13)15/h3-9,18H,10-12H2,1-2H3,(H,19,21).
What are the key properties of 2,2-dimethyl-N-naphthalen-1-ylpiperazine-1-carboxamide?
2,2-dimethyl-N-naphthalen-1-ylpiperazine-1-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-naphthalen-1-ylpiperazine-1-carboxamide is sourced from PubChem (CID 65460543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).