1-[(1-benzylpiperidin-3-yl)methyl]-3-phenylurea

C20H25N3O — CID 47081886

IUPAC1-[(1-benzylpiperidin-3-yl)methyl]-3-phenylurea
SMILESO=C(NCC1CCCN(Cc2ccccc2)C1)Nc1ccccc1
InChIInChI=1S/C20H25N3O/c24-20(22-19-11-5-2-6-12-19)21-14-18-10-7-13-23(16-18)15-17-8-3-1-4-9-17/h1-6,8-9,11-12,18H,7,10,13-16H2,(H2,21,22,24)
InChIKeyRTSREYAJIPRGGX-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.72
Rot. Bonds5

About 1-[(1-benzylpiperidin-3-yl)methyl]-3-phenylurea

1-[(1-benzylpiperidin-3-yl)methyl]-3-phenylurea (PubChem CID 47081886) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[(1-benzylpiperidin-3-yl)methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(1-benzylpiperidin-3-yl)methyl]-3-phenylurea
PubChem CID47081886
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name1-[(1-benzylpiperidin-3-yl)methyl]-3-phenylurea
SMILESO=C(NCC1CCCN(Cc2ccccc2)C1)Nc1ccccc1
InChIInChI=1S/C20H25N3O/c24-20(22-19-11-5-2-6-12-19)21-14-18-10-7-13-23(16-18)15-17-8-3-1-4-9-17/h1-6,8-9,11-12,18H,7,10,13-16H2,(H2,21,22,24)
InChIKeyRTSREYAJIPRGGX-UHFFFAOYSA-N
XLogP3.72
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(3S)-1-benzylpiperidin-3-yl]methyl]-3-(4-cyanophenyl)urea
CID 52513610
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide
CID 96553013
1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 97226935
1-(2H-benzotriazol-4-yl)-3-[[(3S)-1-benzylpiperidin-3-yl]methyl]urea
CID 125166857
N-[(1-benzylpiperidin-3-yl)methyl]-3-methylpiperidine-1-carboxamide
CID 60597786
(2S)-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-hydroxy-2-phenylacetamide
CID 98848393
1-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-3-(2-ethylpyrimidin-5-yl)urea
CID 99839974
1-[(1-benzylpiperidin-3-yl)methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea
CID 47082340
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
CID 94779099
1-[[(3S)-1-benzylpiperidin-3-yl]methyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 96569241
2-[(3R)-1-benzylpiperidin-3-yl]acetic acid
CID 86313785

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylpiperidin-3-yl)methyl]-3-phenylurea?
The IUPAC name of 1-[(1-benzylpiperidin-3-yl)methyl]-3-phenylurea (CID 47081886) is 1-[(1-benzylpiperidin-3-yl)methyl]-3-phenylurea.
What is the SMILES notation for 1-[(1-benzylpiperidin-3-yl)methyl]-3-phenylurea?
The canonical SMILES for 1-[(1-benzylpiperidin-3-yl)methyl]-3-phenylurea is O=C(NCC1CCCN(Cc2ccccc2)C1)Nc1ccccc1.
What is the InChIKey of 1-[(1-benzylpiperidin-3-yl)methyl]-3-phenylurea?
The InChIKey is RTSREYAJIPRGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c24-20(22-19-11-5-2-6-12-19)21-14-18-10-7-13-23(16-18)15-17-8-3-1-4-9-17/h1-6,8-9,11-12,18H,7,10,13-16H2,(H2,21,22,24).
What are the key properties of 1-[(1-benzylpiperidin-3-yl)methyl]-3-phenylurea?
1-[(1-benzylpiperidin-3-yl)methyl]-3-phenylurea has a molecular weight of 323.44 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylpiperidin-3-yl)methyl]-3-phenylurea is sourced from PubChem (CID 47081886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).