1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(2-methyl-4-pyridinyl)urea

C21H26N4O2 — CID 68690135

IUPAC1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(2-methyl-4-pyridinyl)urea
SMILESCc1cc(NC(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)ccn1
InChIInChI=1S/C21H26N4O2/c1-16-13-19(7-10-22-16)24-21(27)23-15-20(26)25-11-8-18(9-12-25)14-17-5-3-2-4-6-17/h2-7,10,13,18H,8-9,11-12,14-15H2,1H3,(H2,22,23,24,27)
InChIKeyNIBGIJHEIMKLLE-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.99
Rot. Bonds5

About 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(2-methyl-4-pyridinyl)urea

1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(2-methyl-4-pyridinyl)urea (PubChem CID 68690135) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(2-methyl-4-pyridinyl)urea.

Molecular Properties

Compound Name1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(2-methyl-4-pyridinyl)urea
PubChem CID68690135
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(2-methyl-4-pyridinyl)urea
SMILESCc1cc(NC(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)ccn1
InChIInChI=1S/C21H26N4O2/c1-16-13-19(7-10-22-16)24-21(27)23-15-20(26)25-11-8-18(9-12-25)14-17-5-3-2-4-6-17/h2-7,10,13,18H,8-9,11-12,14-15H2,1H3,(H2,22,23,24,27)
InChIKeyNIBGIJHEIMKLLE-UHFFFAOYSA-N
XLogP2.99
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-benzylpiperidin-1-yl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 11268609
1-(4-benzylpiperidin-1-yl)-2-[(2,6-dimethylpyrimidin-4-yl)amino]ethanone
CID 133342486
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride
CID 119778235
1-benzyl-3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-methylguanidine
CID 111749720
2-amino-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 60848653
2-(2-methylimidazol-1-yl)-1-[4-[(2-methyl-4-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 110102963
1-(4-benzylpiperidin-1-yl)-2-[(3-methylphenyl)methylamino]ethanone
CID 108996770
1-(4-benzylpiperidin-1-yl)-2-(cyclohexylamino)ethanone
CID 108993605
1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111749873
1-(4-benzylpiperidin-1-yl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethanone
CID 133342559
1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111749827
1-(4-benzylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942755

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(2-methyl-4-pyridinyl)urea?
The IUPAC name of 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(2-methyl-4-pyridinyl)urea (CID 68690135) is 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(2-methyl-4-pyridinyl)urea.
What is the SMILES notation for 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(2-methyl-4-pyridinyl)urea?
The canonical SMILES for 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(2-methyl-4-pyridinyl)urea is Cc1cc(NC(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)ccn1.
What is the InChIKey of 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(2-methyl-4-pyridinyl)urea?
The InChIKey is NIBGIJHEIMKLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-16-13-19(7-10-22-16)24-21(27)23-15-20(26)25-11-8-18(9-12-25)14-17-5-3-2-4-6-17/h2-7,10,13,18H,8-9,11-12,14-15H2,1H3,(H2,22,23,24,27).
What are the key properties of 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(2-methyl-4-pyridinyl)urea?
1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(2-methyl-4-pyridinyl)urea has a molecular weight of 366.47 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(2-methyl-4-pyridinyl)urea is sourced from PubChem (CID 68690135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).