1-naphthalen-1-yl-3-piperidin-4-ylurea

C16H19N3O — CID 16790595

IUPAC1-naphthalen-1-yl-3-piperidin-4-ylurea
SMILESO=C(Nc1cccc2ccccc12)NC1CCNCC1
InChIInChI=1S/C16H19N3O/c20-16(18-13-8-10-17-11-9-13)19-15-7-3-5-12-4-1-2-6-14(12)15/h1-7,13,17H,8-11H2,(H2,18,19,20)
InChIKeyQGGZGGBPNGOFQP-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.71
Rot. Bonds2

About 1-naphthalen-1-yl-3-piperidin-4-ylurea

1-naphthalen-1-yl-3-piperidin-4-ylurea (PubChem CID 16790595) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-naphthalen-1-yl-3-piperidin-4-ylurea.

Molecular Properties

Compound Name1-naphthalen-1-yl-3-piperidin-4-ylurea
PubChem CID16790595
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-naphthalen-1-yl-3-piperidin-4-ylurea
SMILESO=C(Nc1cccc2ccccc12)NC1CCNCC1
InChIInChI=1S/C16H19N3O/c20-16(18-13-8-10-17-11-9-13)19-15-7-3-5-12-4-1-2-6-14(12)15/h1-7,13,17H,8-11H2,(H2,18,19,20)
InChIKeyQGGZGGBPNGOFQP-UHFFFAOYSA-N
XLogP2.71
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-naphthalen-1-yl-3-piperidin-4-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-naphthalen-1-ylpiperidine-4-carboxamide
CID 18073022
1-(2-fluorophenyl)-3-piperidin-4-ylurea
CID 16785411
1-(3-methylpiperidin-4-yl)-3-naphthalen-1-ylurea
CID 79872878
1-naphthalen-1-yl-3-(1-prop-2-enoylpiperidin-4-yl)urea
CID 166404367
2-[2-(piperidin-4-ylcarbamoylamino)phenoxy]acetic acid
CID 63746907
1-naphthalen-1-yl-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633505
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
(2S)-N-cyclopropyl-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanamide
CID 52506751
1-naphthalen-1-yl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47049579
N-cyclododecyl-N'-naphthalen-1-yloxamide
CID 108517411
1-cyclopropyl-3-[2-(hydroxymethyl)phenyl]urea
CID 62699685

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-3-piperidin-4-ylurea?
The IUPAC name of 1-naphthalen-1-yl-3-piperidin-4-ylurea (CID 16790595) is 1-naphthalen-1-yl-3-piperidin-4-ylurea.
What is the SMILES notation for 1-naphthalen-1-yl-3-piperidin-4-ylurea?
The canonical SMILES for 1-naphthalen-1-yl-3-piperidin-4-ylurea is O=C(Nc1cccc2ccccc12)NC1CCNCC1.
What is the InChIKey of 1-naphthalen-1-yl-3-piperidin-4-ylurea?
The InChIKey is QGGZGGBPNGOFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-16(18-13-8-10-17-11-9-13)19-15-7-3-5-12-4-1-2-6-14(12)15/h1-7,13,17H,8-11H2,(H2,18,19,20).
What are the key properties of 1-naphthalen-1-yl-3-piperidin-4-ylurea?
1-naphthalen-1-yl-3-piperidin-4-ylurea has a molecular weight of 269.35 g/mol, XLogP of 2.71, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-3-piperidin-4-ylurea is sourced from PubChem (CID 16790595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).