3-[1-(4-cyanophenyl)piperidin-4-yl]-1-methyl-1-(2-naphthalen-1-ylethyl)urea

C26H28N4O — CID 86880975

IUPAC3-[1-(4-cyanophenyl)piperidin-4-yl]-1-methyl-1-(2-naphthalen-1-ylethyl)urea
SMILESCN(CCc1cccc2ccccc12)C(=O)NC1CCN(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C26H28N4O/c1-29(16-13-22-7-4-6-21-5-2-3-8-25(21)22)26(31)28-23-14-17-30(18-15-23)24-11-9-20(19-27)10-12-24/h2-12,23H,13-18H2,1H3,(H,28,31)
InChIKeyRRKQRWBCSAEDDN-UHFFFAOYSA-N
MW412.54 g/mol
LogP4.56
Rot. Bonds5

About 3-[1-(4-cyanophenyl)piperidin-4-yl]-1-methyl-1-(2-naphthalen-1-ylethyl)urea

3-[1-(4-cyanophenyl)piperidin-4-yl]-1-methyl-1-(2-naphthalen-1-ylethyl)urea (PubChem CID 86880975) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is 3-[1-(4-cyanophenyl)piperidin-4-yl]-1-methyl-1-(2-naphthalen-1-ylethyl)urea.

Molecular Properties

Compound Name3-[1-(4-cyanophenyl)piperidin-4-yl]-1-methyl-1-(2-naphthalen-1-ylethyl)urea
PubChem CID86880975
Molecular FormulaC26H28N4O
Molecular Weight412.54 g/mol
Exact Mass412.23
IUPAC Name3-[1-(4-cyanophenyl)piperidin-4-yl]-1-methyl-1-(2-naphthalen-1-ylethyl)urea
SMILESCN(CCc1cccc2ccccc12)C(=O)NC1CCN(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C26H28N4O/c1-29(16-13-22-7-4-6-21-5-2-3-8-25(21)22)26(31)28-23-14-17-30(18-15-23)24-11-9-20(19-27)10-12-24/h2-12,23H,13-18H2,1H3,(H,28,31)
InChIKeyRRKQRWBCSAEDDN-UHFFFAOYSA-N
XLogP4.56
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[methyl(2-naphthalen-1-ylethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024923
3-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-1-[2-(2-fluorophenyl)ethyl]-1-methylurea
CID 166234224
N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
CID 155957365
N-[2-[[1-(4-cyanophenyl)piperidin-4-yl]amino]-2-oxo-1-phenylethyl]-3-methylbutanamide
CID 86883811
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1-phenylpiperidin-4-yl)urea
CID 109398500
3-(2-bromoprop-2-enyl)-1-methyl-1-(2-naphthalen-1-ylethyl)urea
CID 71934381
methyl 4-[[1-(4-cyanophenyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylate
CID 19391665
1-[1-(4-cyanophenyl)piperidin-4-yl]-3-(3-hydroxybutyl)urea
CID 111337334
N-[1-(4-cyanophenyl)piperidin-4-yl]-4,4,4-trifluoro-3-phenylbutanamide
CID 86888022
3-(2,2-difluoroethyl)-1-methyl-1-(2-naphthalen-1-ylethyl)urea
CID 71925562
N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 86883809
(3S,4R)-N-[1-(4-cyanophenyl)piperidin-4-yl]-4-phenylpyrrolidine-3-carboxamide
CID 156839415

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-cyanophenyl)piperidin-4-yl]-1-methyl-1-(2-naphthalen-1-ylethyl)urea?
The IUPAC name of 3-[1-(4-cyanophenyl)piperidin-4-yl]-1-methyl-1-(2-naphthalen-1-ylethyl)urea (CID 86880975) is 3-[1-(4-cyanophenyl)piperidin-4-yl]-1-methyl-1-(2-naphthalen-1-ylethyl)urea.
What is the SMILES notation for 3-[1-(4-cyanophenyl)piperidin-4-yl]-1-methyl-1-(2-naphthalen-1-ylethyl)urea?
The canonical SMILES for 3-[1-(4-cyanophenyl)piperidin-4-yl]-1-methyl-1-(2-naphthalen-1-ylethyl)urea is CN(CCc1cccc2ccccc12)C(=O)NC1CCN(c2ccc(C#N)cc2)CC1.
What is the InChIKey of 3-[1-(4-cyanophenyl)piperidin-4-yl]-1-methyl-1-(2-naphthalen-1-ylethyl)urea?
The InChIKey is RRKQRWBCSAEDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O/c1-29(16-13-22-7-4-6-21-5-2-3-8-25(21)22)26(31)28-23-14-17-30(18-15-23)24-11-9-20(19-27)10-12-24/h2-12,23H,13-18H2,1H3,(H,28,31).
What are the key properties of 3-[1-(4-cyanophenyl)piperidin-4-yl]-1-methyl-1-(2-naphthalen-1-ylethyl)urea?
3-[1-(4-cyanophenyl)piperidin-4-yl]-1-methyl-1-(2-naphthalen-1-ylethyl)urea has a molecular weight of 412.54 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-cyanophenyl)piperidin-4-yl]-1-methyl-1-(2-naphthalen-1-ylethyl)urea is sourced from PubChem (CID 86880975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).