1-(1-methylpiperidin-4-yl)-3-naphthalen-2-ylurea

C17H21N3O — CID 78832160

IUPAC1-(1-methylpiperidin-4-yl)-3-naphthalen-2-ylurea
SMILESCN1CCC(NC(=O)Nc2ccc3ccccc3c2)CC1
InChIInChI=1S/C17H21N3O/c1-20-10-8-15(9-11-20)18-17(21)19-16-7-6-13-4-2-3-5-14(13)12-16/h2-7,12,15H,8-11H2,1H3,(H2,18,19,21)
InChIKeyTWOVSUDHXJGUQK-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.06
Rot. Bonds2

About 1-(1-methylpiperidin-4-yl)-3-naphthalen-2-ylurea

1-(1-methylpiperidin-4-yl)-3-naphthalen-2-ylurea (PubChem CID 78832160) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-3-naphthalen-2-ylurea.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-3-naphthalen-2-ylurea
PubChem CID78832160
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-(1-methylpiperidin-4-yl)-3-naphthalen-2-ylurea
SMILESCN1CCC(NC(=O)Nc2ccc3ccccc3c2)CC1
InChIInChI=1S/C17H21N3O/c1-20-10-8-15(9-11-20)18-17(21)19-16-7-6-13-4-2-3-5-14(13)12-16/h2-7,12,15H,8-11H2,1H3,(H2,18,19,21)
InChIKeyTWOVSUDHXJGUQK-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

1-(3,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 17279067
1-(3-bromo-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 110866440
1-(4-iodophenyl)-3-(1-methylpiperidin-4-yl)urea
CID 47133004
1-[3-(1,1-difluoroethyl)phenyl]-3-(1-methylpiperidin-4-yl)urea
CID 99823447
1-(3-chloro-4-methylsulfanylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 71864855
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-naphthalen-2-ylurea
CID 78891490
2-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]-2-phenylpropanamide;dihydrochloride
CID 120597102
1-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 56824217
1-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]cyclopropane-1-carboxamide
CID 119890827
1-[4-[1-(methylamino)ethyl]phenyl]-3-(1-methylpiperidin-4-yl)urea
CID 61340940
2-amino-2-methyl-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]propanamide;dihydrochloride
CID 119890834
1-(4-fluoro-3-methylphenyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea
CID 99581606

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-3-naphthalen-2-ylurea?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-3-naphthalen-2-ylurea (CID 78832160) is 1-(1-methylpiperidin-4-yl)-3-naphthalen-2-ylurea.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-3-naphthalen-2-ylurea?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-3-naphthalen-2-ylurea is CN1CCC(NC(=O)Nc2ccc3ccccc3c2)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-3-naphthalen-2-ylurea?
The InChIKey is TWOVSUDHXJGUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-20-10-8-15(9-11-20)18-17(21)19-16-7-6-13-4-2-3-5-14(13)12-16/h2-7,12,15H,8-11H2,1H3,(H2,18,19,21).
What are the key properties of 1-(1-methylpiperidin-4-yl)-3-naphthalen-2-ylurea?
1-(1-methylpiperidin-4-yl)-3-naphthalen-2-ylurea 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 1-(1-methylpiperidin-4-yl)-3-naphthalen-2-ylurea is sourced from PubChem (CID 78832160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).