3-(2-benzylpiperidin-1-yl)-1-ethyl-1-phenylurea

C21H27N3O — CID 54189123

IUPAC3-(2-benzylpiperidin-1-yl)-1-ethyl-1-phenylurea
SMILESCCN(C(=O)NN1CCCCC1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H27N3O/c1-2-23(19-13-7-4-8-14-19)21(25)22-24-16-10-9-15-20(24)17-18-11-5-3-6-12-18/h3-8,11-14,20H,2,9-10,15-17H2,1H3,(H,22,25)
InChIKeyPHGHMCQAZITCPE-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.23
Rot. Bonds5

About 3-(2-benzylpiperidin-1-yl)-1-ethyl-1-phenylurea

3-(2-benzylpiperidin-1-yl)-1-ethyl-1-phenylurea (PubChem CID 54189123) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 3-(2-benzylpiperidin-1-yl)-1-ethyl-1-phenylurea.

Molecular Properties

Compound Name3-(2-benzylpiperidin-1-yl)-1-ethyl-1-phenylurea
PubChem CID54189123
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name3-(2-benzylpiperidin-1-yl)-1-ethyl-1-phenylurea
SMILESCCN(C(=O)NN1CCCCC1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H27N3O/c1-2-23(19-13-7-4-8-14-19)21(25)22-24-16-10-9-15-20(24)17-18-11-5-3-6-12-18/h3-8,11-14,20H,2,9-10,15-17H2,1H3,(H,22,25)
InChIKeyPHGHMCQAZITCPE-UHFFFAOYSA-N
XLogP4.23
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-1-ethyl-1-phenylurea
CID 17371090
N-(2-benzylpiperidin-1-yl)-2-phenylbenzamide
CID 121318734
N-(2-benzylpiperidin-1-yl)-2-[[2-[(2-benzylpiperidin-1-yl)carbamoyl]phenyl]disulfanyl]benzamide
CID 88728715
methyl (2S)-1-[ethyl(phenyl)carbamoyl]piperidine-2-carboxylate
CID 59546408
methyl 2-benzylazepane-1-carboxylate
CID 102314657
(2S)-1-[ethyl(phenyl)carbamoyl]piperidine-2-carboxylic acid
CID 59546398
N-ethyl-N-phenylcyclohexanecarboxamide
CID 3884538
methyl 4-[(2R)-2-benzylpiperidin-1-yl]-4-oxobutanoate
CID 95310445
N-ethyl-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-phenylacetamide
CID 60690329
2-[(2S)-2-benzylpyrrolidin-1-yl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone
CID 124838955
benzyl 2-[(4-methylphenyl)methyl]piperidine-1-carboxylate
CID 101478635
[(2S)-2-benzylpiperidin-1-yl]-phenylmethanone
CID 155929798

Frequently Asked Questions

What is the IUPAC name of 3-(2-benzylpiperidin-1-yl)-1-ethyl-1-phenylurea?
The IUPAC name of 3-(2-benzylpiperidin-1-yl)-1-ethyl-1-phenylurea (CID 54189123) is 3-(2-benzylpiperidin-1-yl)-1-ethyl-1-phenylurea.
What is the SMILES notation for 3-(2-benzylpiperidin-1-yl)-1-ethyl-1-phenylurea?
The canonical SMILES for 3-(2-benzylpiperidin-1-yl)-1-ethyl-1-phenylurea is CCN(C(=O)NN1CCCCC1Cc1ccccc1)c1ccccc1.
What is the InChIKey of 3-(2-benzylpiperidin-1-yl)-1-ethyl-1-phenylurea?
The InChIKey is PHGHMCQAZITCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-2-23(19-13-7-4-8-14-19)21(25)22-24-16-10-9-15-20(24)17-18-11-5-3-6-12-18/h3-8,11-14,20H,2,9-10,15-17H2,1H3,(H,22,25).
What are the key properties of 3-(2-benzylpiperidin-1-yl)-1-ethyl-1-phenylurea?
3-(2-benzylpiperidin-1-yl)-1-ethyl-1-phenylurea has a molecular weight of 337.47 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-benzylpiperidin-1-yl)-1-ethyl-1-phenylurea is sourced from PubChem (CID 54189123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).