1-[2-[(1-methylpiperidin-2-yl)methylamino]phenyl]-3-naphthalen-1-ylurea

C24H28N4O — CID 70821492

IUPAC1-[2-[(1-methylpiperidin-2-yl)methylamino]phenyl]-3-naphthalen-1-ylurea
SMILESCN1CCCCC1CNc1ccccc1NC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C24H28N4O/c1-28-16-7-6-11-19(28)17-25-22-13-4-5-14-23(22)27-24(29)26-21-15-8-10-18-9-2-3-12-20(18)21/h2-5,8-10,12-15,19,25H,6-7,11,16-17H2,1H3,(H2,26,27,29)
InChIKeyWJSWDAMIJTZNMS-UHFFFAOYSA-N
MW388.52 g/mol
LogP5.38
Rot. Bonds5

About 1-[2-[(1-methylpiperidin-2-yl)methylamino]phenyl]-3-naphthalen-1-ylurea

1-[2-[(1-methylpiperidin-2-yl)methylamino]phenyl]-3-naphthalen-1-ylurea (PubChem CID 70821492) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 1-[2-[(1-methylpiperidin-2-yl)methylamino]phenyl]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[2-[(1-methylpiperidin-2-yl)methylamino]phenyl]-3-naphthalen-1-ylurea
PubChem CID70821492
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name1-[2-[(1-methylpiperidin-2-yl)methylamino]phenyl]-3-naphthalen-1-ylurea
SMILESCN1CCCCC1CNc1ccccc1NC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C24H28N4O/c1-28-16-7-6-11-19(28)17-25-22-13-4-5-14-23(22)27-24(29)26-21-15-8-10-18-9-2-3-12-20(18)21/h2-5,8-10,12-15,19,25H,6-7,11,16-17H2,1H3,(H2,26,27,29)
InChIKeyWJSWDAMIJTZNMS-UHFFFAOYSA-N
XLogP5.38
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.52
LogP ≤ 55.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
3-bromo-N-[(1-methylpiperidin-2-yl)methyl]quinolin-8-amine
CID 116783293
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
2-(2-methylpiperidin-1-yl)-N-naphthalen-1-yl-2-oxoacetamide
CID 108523375
2-(diethylaminomethyl)-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62658648
ethyl 2-amino-3-[(1-methylpiperidin-2-yl)methylamino]benzoate
CID 115545628
2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83950521
1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 94800617
2-[2-(hydroxymethyl)piperidin-1-yl]-N-naphthalen-1-ylacetamide
CID 110880917
2-(2-hydroxyethyl)-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 4097803
2-(methylaminomethyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 115316435
N-[(1-methylpiperidin-2-yl)methyl]-2,1,3-benzoselenadiazol-4-amine
CID 62658263

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-methylpiperidin-2-yl)methylamino]phenyl]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[2-[(1-methylpiperidin-2-yl)methylamino]phenyl]-3-naphthalen-1-ylurea (CID 70821492) is 1-[2-[(1-methylpiperidin-2-yl)methylamino]phenyl]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[2-[(1-methylpiperidin-2-yl)methylamino]phenyl]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[2-[(1-methylpiperidin-2-yl)methylamino]phenyl]-3-naphthalen-1-ylurea is CN1CCCCC1CNc1ccccc1NC(=O)Nc1cccc2ccccc12.
What is the InChIKey of 1-[2-[(1-methylpiperidin-2-yl)methylamino]phenyl]-3-naphthalen-1-ylurea?
The InChIKey is WJSWDAMIJTZNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-28-16-7-6-11-19(28)17-25-22-13-4-5-14-23(22)27-24(29)26-21-15-8-10-18-9-2-3-12-20(18)21/h2-5,8-10,12-15,19,25H,6-7,11,16-17H2,1H3,(H2,26,27,29).
What are the key properties of 1-[2-[(1-methylpiperidin-2-yl)methylamino]phenyl]-3-naphthalen-1-ylurea?
1-[2-[(1-methylpiperidin-2-yl)methylamino]phenyl]-3-naphthalen-1-ylurea has a molecular weight of 388.52 g/mol, XLogP of 5.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-methylpiperidin-2-yl)methylamino]phenyl]-3-naphthalen-1-ylurea is sourced from PubChem (CID 70821492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).