3-(methylamino)-N-naphthalen-1-ylpiperidine-1-carboxamide

C17H21N3O — CID 62536380

IUPAC3-(methylamino)-N-naphthalen-1-ylpiperidine-1-carboxamide
SMILESCNC1CCCN(C(=O)Nc2cccc3ccccc23)C1
InChIInChI=1S/C17H21N3O/c1-18-14-8-5-11-20(12-14)17(21)19-16-10-4-7-13-6-2-3-9-15(13)16/h2-4,6-7,9-10,14,18H,5,8,11-12H2,1H3,(H,19,21)
InChIKeyJBYKHXVXKDYVNG-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.06
Rot. Bonds2

About 3-(methylamino)-N-naphthalen-1-ylpiperidine-1-carboxamide

3-(methylamino)-N-naphthalen-1-ylpiperidine-1-carboxamide (PubChem CID 62536380) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-(methylamino)-N-naphthalen-1-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-(methylamino)-N-naphthalen-1-ylpiperidine-1-carboxamide
PubChem CID62536380
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name3-(methylamino)-N-naphthalen-1-ylpiperidine-1-carboxamide
SMILESCNC1CCCN(C(=O)Nc2cccc3ccccc23)C1
InChIInChI=1S/C17H21N3O/c1-18-14-8-5-11-20(12-14)17(21)19-16-10-4-7-13-6-2-3-9-15(13)16/h2-4,6-7,9-10,14,18H,5,8,11-12H2,1H3,(H,19,21)
InChIKeyJBYKHXVXKDYVNG-UHFFFAOYSA-N
XLogP3.06
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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

(3R)-3-(methylamino)-N-(2-methylphenyl)piperidine-1-carboxamide;hydrochloride
CID 172646427
3-hydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 62918134
(8aR)-N-naphthalen-1-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 757117
(3S,4R)-3,4-dihydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 79411310
2-(methylaminomethyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 115316435
4-cyclopropyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 51096006
3-(dimethylamino)-N-naphthalen-1-ylazetidine-1-carboxamide
CID 23140557
3-(5-fluoropyrimidin-2-yl)oxy-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 122258608
methyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate
CID 108884718
methyl 2-[(3R)-1-(naphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]acetate
CID 97284758
N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 119490921
3-(2-aminoethyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 114802238

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-naphthalen-1-ylpiperidine-1-carboxamide?
The IUPAC name of 3-(methylamino)-N-naphthalen-1-ylpiperidine-1-carboxamide (CID 62536380) is 3-(methylamino)-N-naphthalen-1-ylpiperidine-1-carboxamide.
What is the SMILES notation for 3-(methylamino)-N-naphthalen-1-ylpiperidine-1-carboxamide?
The canonical SMILES for 3-(methylamino)-N-naphthalen-1-ylpiperidine-1-carboxamide is CNC1CCCN(C(=O)Nc2cccc3ccccc23)C1.
What is the InChIKey of 3-(methylamino)-N-naphthalen-1-ylpiperidine-1-carboxamide?
The InChIKey is JBYKHXVXKDYVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-18-14-8-5-11-20(12-14)17(21)19-16-10-4-7-13-6-2-3-9-15(13)16/h2-4,6-7,9-10,14,18H,5,8,11-12H2,1H3,(H,19,21).
What are the key properties of 3-(methylamino)-N-naphthalen-1-ylpiperidine-1-carboxamide?
3-(methylamino)-N-naphthalen-1-ylpiperidine-1-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-naphthalen-1-ylpiperidine-1-carboxamide is sourced from PubChem (CID 62536380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).