1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea

C22H30N4O — CID 68689261

IUPAC1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea
SMILESCCc1cc(NC(=O)NCCN2CCC(c3ccccc3)CC2)cc(C)n1
InChIInChI=1S/C22H30N4O/c1-3-20-16-21(15-17(2)24-20)25-22(27)23-11-14-26-12-9-19(10-13-26)18-7-5-4-6-8-18/h4-8,15-16,19H,3,9-14H2,1-2H3,(H2,23,24,25,27)
InChIKeyWBBHCPQVQLMYGQ-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.95
Rot. Bonds6

About 1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea

1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea (PubChem CID 68689261) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea
PubChem CID68689261
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea
SMILESCCc1cc(NC(=O)NCCN2CCC(c3ccccc3)CC2)cc(C)n1
InChIInChI=1S/C22H30N4O/c1-3-20-16-21(15-17(2)24-20)25-22(27)23-11-14-26-12-9-19(10-13-26)18-7-5-4-6-8-18/h4-8,15-16,19H,3,9-14H2,1-2H3,(H2,23,24,25,27)
InChIKeyWBBHCPQVQLMYGQ-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylquinolin-4-yl)-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea
CID 10150609
1-[2-(4-benzylpiperidin-1-yl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 11268609
1-[2-(4-phenylpiperidin-1-yl)ethyl]-3-pyridin-3-ylurea
CID 74231138
1-[2-[4-[benzenesulfonyl(cyclopropyl)amino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 11397292
1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-[4-[(4-methoxyphenyl)sulfonyl-propylamino]piperidin-1-yl]ethyl]urea
CID 11272334
1-(3,4-dichlorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]urea
CID 110173334
1-(3,4-dimethoxyphenyl)-3-[2-[(3R)-3-phenylpyrrolidin-1-yl]ethyl]urea
CID 97453201
1-[2-[4-[cyclopropyl-(2-fluorophenyl)sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 68691993
1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea
CID 118792578
2-(3,4-dichlorophenyl)-N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]butanamide
CID 90742460
N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-2-(4-methoxyphenyl)butanamide
CID 91272245
4-methyl-N-[2-(4-phenylpiperidin-1-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 91829247

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea?
The IUPAC name of 1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea (CID 68689261) is 1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea?
The canonical SMILES for 1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea is CCc1cc(NC(=O)NCCN2CCC(c3ccccc3)CC2)cc(C)n1.
What is the InChIKey of 1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea?
The InChIKey is WBBHCPQVQLMYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-3-20-16-21(15-17(2)24-20)25-22(27)23-11-14-26-12-9-19(10-13-26)18-7-5-4-6-8-18/h4-8,15-16,19H,3,9-14H2,1-2H3,(H2,23,24,25,27).
What are the key properties of 1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea?
1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea has a molecular weight of 366.51 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea is sourced from PubChem (CID 68689261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).