1-[2-(4-benzylpiperidin-1-yl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea

C22H30N4O — CID 11268609

IUPAC1-[2-(4-benzylpiperidin-1-yl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
SMILESCc1cc(NC(=O)NCCN2CCC(Cc3ccccc3)CC2)cc(C)n1
InChIInChI=1S/C22H30N4O/c1-17-14-21(15-18(2)24-17)25-22(27)23-10-13-26-11-8-20(9-12-26)16-19-6-4-3-5-7-19/h3-7,14-15,20H,8-13,16H2,1-2H3,(H2,23,24,25,27)
InChIKeyJOVBOQDTDWCQJQ-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.77
Rot. Bonds6

About 1-[2-(4-benzylpiperidin-1-yl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea

1-[2-(4-benzylpiperidin-1-yl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea (PubChem CID 11268609) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-[2-(4-benzylpiperidin-1-yl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea.

Molecular Properties

Compound Name1-[2-(4-benzylpiperidin-1-yl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
PubChem CID11268609
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name1-[2-(4-benzylpiperidin-1-yl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
SMILESCc1cc(NC(=O)NCCN2CCC(Cc3ccccc3)CC2)cc(C)n1
InChIInChI=1S/C22H30N4O/c1-17-14-21(15-18(2)24-17)25-22(27)23-10-13-26-11-8-20(9-12-26)16-19-6-4-3-5-7-19/h3-7,14-15,20H,8-13,16H2,1-2H3,(H2,23,24,25,27)
InChIKeyJOVBOQDTDWCQJQ-UHFFFAOYSA-N
XLogP3.77
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[4-[benzenesulfonyl(cyclopropyl)amino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 11397292
2-(4-benzylpiperidin-1-yl)ethylcarbamic acid
CID 166653471
1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea
CID 68689261
N-[2-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]ethyl]-4-fluorobenzamide
CID 90920265
1-[2-[4-[[(3-chlorophenyl)sulfonylamino]methyl]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 90921061
1-[2-[4-[cyclopropyl-(2-fluorophenyl)sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 68691993
1-[2-[4-[[2,6-bis(fluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 90736138
1-[2-[4-[2-(3-methylphenyl)ethyl]piperidin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea
CID 174475479
1-(2-methylquinolin-4-yl)-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea
CID 10150609
1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(2-methyl-4-pyridinyl)urea
CID 68690135
N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-N-ethyl-2-(4-methoxyphenyl)acetamide
CID 68689296
2-(3,4-dichlorophenyl)-N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]butanamide
CID 90742460

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-benzylpiperidin-1-yl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea?
The IUPAC name of 1-[2-(4-benzylpiperidin-1-yl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea (CID 11268609) is 1-[2-(4-benzylpiperidin-1-yl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea.
What is the SMILES notation for 1-[2-(4-benzylpiperidin-1-yl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea?
The canonical SMILES for 1-[2-(4-benzylpiperidin-1-yl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea is Cc1cc(NC(=O)NCCN2CCC(Cc3ccccc3)CC2)cc(C)n1.
What is the InChIKey of 1-[2-(4-benzylpiperidin-1-yl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea?
The InChIKey is JOVBOQDTDWCQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-17-14-21(15-18(2)24-17)25-22(27)23-10-13-26-11-8-20(9-12-26)16-19-6-4-3-5-7-19/h3-7,14-15,20H,8-13,16H2,1-2H3,(H2,23,24,25,27).
What are the key properties of 1-[2-(4-benzylpiperidin-1-yl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea?
1-[2-(4-benzylpiperidin-1-yl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea has a molecular weight of 366.51 g/mol, XLogP of 3.77, 6 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)ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea is sourced from PubChem (CID 11268609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).