1-methyl-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-[(2R)-1-pyridin-2-ylpropan-2-yl]urea

C22H30N4O2 — CID 97434227

IUPAC1-methyl-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-[(2R)-1-pyridin-2-ylpropan-2-yl]urea
SMILESC[C@H](Cc1ccccn1)N(C)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1
InChIInChI=1S/C22H30N4O2/c1-17(16-19-6-4-5-13-23-19)26(3)22(27)24-18-7-9-20(10-8-18)28-21-11-14-25(2)15-12-21/h4-10,13,17,21H,11-12,14-16H2,1-3H3,(H,24,27)/t17-/m1/s1
InChIKeyLIGIOONLTNGUEM-QGZVFWFLSA-N
MW382.51 g/mol
LogP3.65
Rot. Bonds6

About 1-methyl-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-[(2R)-1-pyridin-2-ylpropan-2-yl]urea

1-methyl-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-[(2R)-1-pyridin-2-ylpropan-2-yl]urea (PubChem CID 97434227) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-methyl-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-[(2R)-1-pyridin-2-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-methyl-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-[(2R)-1-pyridin-2-ylpropan-2-yl]urea
PubChem CID97434227
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name1-methyl-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-[(2R)-1-pyridin-2-ylpropan-2-yl]urea
SMILESC[C@H](Cc1ccccn1)N(C)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1
InChIInChI=1S/C22H30N4O2/c1-17(16-19-6-4-5-13-23-19)26(3)22(27)24-18-7-9-20(10-8-18)28-21-11-14-25(2)15-12-21/h4-10,13,17,21H,11-12,14-16H2,1-3H3,(H,24,27)/t17-/m1/s1
InChIKeyLIGIOONLTNGUEM-QGZVFWFLSA-N
XLogP3.65
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea
CID 97270903
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CID 99972529
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea
CID 72860951
(2S)-2-(2-methoxyphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
CID 99972736
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
CID 131905975
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinoxaline-6-carboxamide
CID 131913221
2,6-dimethoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 99970957
(2R)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-(N-methylsulfonylanilino)butanamide
CID 99972291
1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea
CID 97276719
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-phenylbenzamide
CID 118063757
1-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-phenylurea
CID 50875367
2-(2-methoxyphenoxy)-2-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-[(2R)-1-pyridin-2-ylpropan-2-yl]urea?
The IUPAC name of 1-methyl-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-[(2R)-1-pyridin-2-ylpropan-2-yl]urea (CID 97434227) is 1-methyl-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-[(2R)-1-pyridin-2-ylpropan-2-yl]urea.
What is the SMILES notation for 1-methyl-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-[(2R)-1-pyridin-2-ylpropan-2-yl]urea?
The canonical SMILES for 1-methyl-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-[(2R)-1-pyridin-2-ylpropan-2-yl]urea is C[C@H](Cc1ccccn1)N(C)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1.
What is the InChIKey of 1-methyl-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-[(2R)-1-pyridin-2-ylpropan-2-yl]urea?
The InChIKey is LIGIOONLTNGUEM-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-17(16-19-6-4-5-13-23-19)26(3)22(27)24-18-7-9-20(10-8-18)28-21-11-14-25(2)15-12-21/h4-10,13,17,21H,11-12,14-16H2,1-3H3,(H,24,27)/t17-/m1/s1.
What are the key properties of 1-methyl-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-[(2R)-1-pyridin-2-ylpropan-2-yl]urea?
1-methyl-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-[(2R)-1-pyridin-2-ylpropan-2-yl]urea has a molecular weight of 382.51 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-[(2R)-1-pyridin-2-ylpropan-2-yl]urea is sourced from PubChem (CID 97434227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).