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

C17H21N3O — CID 79872878

IUPAC1-(3-methylpiperidin-4-yl)-3-naphthalen-1-ylurea
SMILESCC1CNCCC1NC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C17H21N3O/c1-12-11-18-10-9-15(12)19-17(21)20-16-8-4-6-13-5-2-3-7-14(13)16/h2-8,12,15,18H,9-11H2,1H3,(H2,19,20,21)
InChIKeySWODFDBQDUDGPA-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.96
Rot. Bonds2

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

1-(3-methylpiperidin-4-yl)-3-naphthalen-1-ylurea (PubChem CID 79872878) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-(3-methylpiperidin-4-yl)-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-(3-methylpiperidin-4-yl)-3-naphthalen-1-ylurea
PubChem CID79872878
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-(3-methylpiperidin-4-yl)-3-naphthalen-1-ylurea
SMILESCC1CNCCC1NC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C17H21N3O/c1-12-11-18-10-9-15(12)19-17(21)20-16-8-4-6-13-5-2-3-7-14(13)16/h2-8,12,15,18H,9-11H2,1H3,(H2,19,20,21)
InChIKeySWODFDBQDUDGPA-UHFFFAOYSA-N
XLogP2.96
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-naphthalen-1-yl-3-piperidin-4-ylurea
CID 16790595
N-(3-methylpiperidin-4-yl)-3-naphthalen-2-ylpropanamide;hydrochloride
CID 120554205
N-(3-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120553778
N-naphthalen-1-ylpiperidine-4-carboxamide
CID 18073022
1-[2-(methoxymethyl)cyclopentyl]-3-naphthalen-1-ylurea
CID 156609749
2-benzamido-N-(3-methylpiperidin-4-yl)benzamide
CID 120557141
N-(3-methylpiperidin-4-yl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide;hydrochloride
CID 120554598
3-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120556745
N-(3-methylpiperidin-4-yl)-1-oxo-2H-isoquinoline-3-carboxamide;hydrochloride
CID 120557419
pyrrolidin-3-ylmethyl N-naphthalen-1-ylcarbamate
CID 79337024
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperidin-4-yl)-3-naphthalen-1-ylurea?
The IUPAC name of 1-(3-methylpiperidin-4-yl)-3-naphthalen-1-ylurea (CID 79872878) is 1-(3-methylpiperidin-4-yl)-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-(3-methylpiperidin-4-yl)-3-naphthalen-1-ylurea?
The canonical SMILES for 1-(3-methylpiperidin-4-yl)-3-naphthalen-1-ylurea is CC1CNCCC1NC(=O)Nc1cccc2ccccc12.
What is the InChIKey of 1-(3-methylpiperidin-4-yl)-3-naphthalen-1-ylurea?
The InChIKey is SWODFDBQDUDGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-11-18-10-9-15(12)19-17(21)20-16-8-4-6-13-5-2-3-7-14(13)16/h2-8,12,15,18H,9-11H2,1H3,(H2,19,20,21).
What are the key properties of 1-(3-methylpiperidin-4-yl)-3-naphthalen-1-ylurea?
1-(3-methylpiperidin-4-yl)-3-naphthalen-1-ylurea has a molecular weight of 283.38 g/mol, XLogP of 2.96, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpiperidin-4-yl)-3-naphthalen-1-ylurea is sourced from PubChem (CID 79872878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).