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

C23H25N3O — CID 3562491

IUPAC1-(1-benzylpiperidin-4-yl)-3-naphthalen-1-ylurea
SMILESO=C(Nc1cccc2ccccc12)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H25N3O/c27-23(25-22-12-6-10-19-9-4-5-11-21(19)22)24-20-13-15-26(16-14-20)17-18-7-2-1-3-8-18/h1-12,20H,13-17H2,(H2,24,25,27)
InChIKeyBVQQWGYSPFFTBU-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.63
Rot. Bonds4

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

1-(1-benzylpiperidin-4-yl)-3-naphthalen-1-ylurea (PubChem CID 3562491) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-3-naphthalen-1-ylurea
PubChem CID3562491
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name1-(1-benzylpiperidin-4-yl)-3-naphthalen-1-ylurea
SMILESO=C(Nc1cccc2ccccc12)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H25N3O/c27-23(25-22-12-6-10-19-9-4-5-11-21(19)22)24-20-13-15-26(16-14-20)17-18-7-2-1-3-8-18/h1-12,20H,13-17H2,(H2,24,25,27)
InChIKeyBVQQWGYSPFFTBU-UHFFFAOYSA-N
XLogP4.63
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzyl-3-(1-naphthyl)urea
CID 668231
Urea, N,N''-1,5-naphthalenediylbis[N',N'-dimethyl-
CID 99645
1-(Naphthalen-2-yl)-3-phenylurea
CID 239526
1-Naphthylurea
CID 81387
1-(1-Naphthyl)-3-(P-tolyl)urea
CID 295006
1-Piperazinecarboxylic acid, 4-(1-naphthylcarbamoyl)-, ethyl ester
CID 379219
2-(2-nitrophenyl)-2,3-dihydro-1H-perimidine
CID 256654
2-(3-nitrophenyl)-2,3-dihydro-1H-perimidine
CID 727031
2-p-Tolyl-2,3-dihydro-1H-perimidine
CID 727034
2-(3-methylphenyl)-2,3-dihydro-1H-perimidine
CID 761639
Urea, 1-(1-naphthyl)-3-phenyl-
CID 239525
2-(4-fluorophenyl)-2,3-dihydro-1H-perimidine
CID 255084

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-naphthalen-1-ylurea?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-naphthalen-1-ylurea (CID 3562491) is 1-(1-benzylpiperidin-4-yl)-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-3-naphthalen-1-ylurea?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-3-naphthalen-1-ylurea is O=C(Nc1cccc2ccccc12)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-3-naphthalen-1-ylurea?
The InChIKey is BVQQWGYSPFFTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c27-23(25-22-12-6-10-19-9-4-5-11-21(19)22)24-20-13-15-26(16-14-20)17-18-7-2-1-3-8-18/h1-12,20H,13-17H2,(H2,24,25,27).
What are the key properties of 1-(1-benzylpiperidin-4-yl)-3-naphthalen-1-ylurea?
1-(1-benzylpiperidin-4-yl)-3-naphthalen-1-ylurea has a molecular weight of 359.47 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-3-naphthalen-1-ylurea is sourced from PubChem (CID 3562491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).