1-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(oxan-4-yl)urea

C20H31N3O3 — CID 110622092

IUPAC1-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(oxan-4-yl)urea
SMILESCOc1ccccc1C(CNC(=O)NC1CCOCC1)N1CCCCC1
InChIInChI=1S/C20H31N3O3/c1-25-19-8-4-3-7-17(19)18(23-11-5-2-6-12-23)15-21-20(24)22-16-9-13-26-14-10-16/h3-4,7-8,16,18H,2,5-6,9-15H2,1H3,(H2,21,22,24)
InChIKeyRFITUHFCDHFKCF-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.70
Rot. Bonds6

About 1-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(oxan-4-yl)urea

1-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(oxan-4-yl)urea (PubChem CID 110622092) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(oxan-4-yl)urea.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(oxan-4-yl)urea
PubChem CID110622092
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name1-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(oxan-4-yl)urea
SMILESCOc1ccccc1C(CNC(=O)NC1CCOCC1)N1CCCCC1
InChIInChI=1S/C20H31N3O3/c1-25-19-8-4-3-7-17(19)18(23-11-5-2-6-12-23)15-21-20(24)22-16-9-13-26-14-10-16/h3-4,7-8,16,18H,2,5-6,9-15H2,1H3,(H2,21,22,24)
InChIKeyRFITUHFCDHFKCF-UHFFFAOYSA-N
XLogP2.70
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-methylpropyl)urea
CID 110622101
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclobutanecarboxamide
CID 30522180
1-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(oxan-4-yl)urea
CID 110621713
1-(2-methoxyphenyl)-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 17497858
N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide
CID 112504090
1-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(3-methylbutyl)urea
CID 110302826
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(methylamino)acetamide
CID 120703941
4-(aminomethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]oxane-4-carboxamide
CID 120937948
1-(oxan-4-yl)-3-(3-phenyl-2-piperidin-1-ylpropyl)urea
CID 110611113
methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate
CID 60533855
(3S)-4-(2,2-difluoroethyl)-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]morpholine-3-carboxamide
CID 100613737
1-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methyl-3-[3-(oxan-4-ylmethoxy)propyl]guanidine
CID 111642056

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(oxan-4-yl)urea?
The IUPAC name of 1-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(oxan-4-yl)urea (CID 110622092) is 1-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(oxan-4-yl)urea.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(oxan-4-yl)urea?
The canonical SMILES for 1-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(oxan-4-yl)urea is COc1ccccc1C(CNC(=O)NC1CCOCC1)N1CCCCC1.
What is the InChIKey of 1-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(oxan-4-yl)urea?
The InChIKey is RFITUHFCDHFKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-25-19-8-4-3-7-17(19)18(23-11-5-2-6-12-23)15-21-20(24)22-16-9-13-26-14-10-16/h3-4,7-8,16,18H,2,5-6,9-15H2,1H3,(H2,21,22,24).
What are the key properties of 1-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(oxan-4-yl)urea?
1-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(oxan-4-yl)urea has a molecular weight of 361.49 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(oxan-4-yl)urea is sourced from PubChem (CID 110622092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).