1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-3-(4-ethoxyphenyl)urea

C18H29N3O2 — CID 769372

IUPAC1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)NCCN2[C@H](C)CCC[C@H]2C)cc1
InChIInChI=1S/C18H29N3O2/c1-4-23-17-10-8-16(9-11-17)20-18(22)19-12-13-21-14(2)6-5-7-15(21)3/h8-11,14-15H,4-7,12-13H2,1-3H3,(H2,19,20,22)/t14-,15-/m1/s1
InChIKeyCEONUKADDXRNBN-HUUCEWRRSA-N
MW319.45 g/mol
LogP3.47
Rot. Bonds6

About 1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-3-(4-ethoxyphenyl)urea

1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-3-(4-ethoxyphenyl)urea (PubChem CID 769372) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-3-(4-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-3-(4-ethoxyphenyl)urea
PubChem CID769372
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)NCCN2[C@H](C)CCC[C@H]2C)cc1
InChIInChI=1S/C18H29N3O2/c1-4-23-17-10-8-16(9-11-17)20-18(22)19-12-13-21-14(2)6-5-7-15(21)3/h8-11,14-15H,4-7,12-13H2,1-3H3,(H2,19,20,22)/t14-,15-/m1/s1
InChIKeyCEONUKADDXRNBN-HUUCEWRRSA-N
XLogP3.47
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,6S)-N-(4-ethoxyphenyl)-2,6-dimethylpiperidine-1-carbothioamide
CID 971234
1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(4-ethoxyphenyl)urea
CID 121139775
N-[4-[2-(4-ethoxyphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 112973214
1-cyclopropyl-3-(4-ethoxyphenyl)urea
CID 17264486
1-(4-ethoxyphenyl)-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea
CID 47049542
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-(4-ethoxyphenyl)ethanone
CID 104967905
N-(4-ethoxyphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583349
1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112970962
2-[(4-ethoxyphenyl)carbamoylamino]acetic acid
CID 12856017
1-(2-cyclopropyl-2-hydroxypropyl)-3-(4-ethoxyphenyl)urea
CID 52992812
1-[3-(diethylamino)propyl]-3-(4-ethoxyphenyl)urea
CID 3669043
2-(cyclopentylamino)-N-(4-ethoxyphenyl)acetamide
CID 47107212

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-3-(4-ethoxyphenyl)urea?
The IUPAC name of 1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-3-(4-ethoxyphenyl)urea (CID 769372) is 1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-3-(4-ethoxyphenyl)urea.
What is the SMILES notation for 1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-3-(4-ethoxyphenyl)urea?
The canonical SMILES for 1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-3-(4-ethoxyphenyl)urea is CCOc1ccc(NC(=O)NCCN2[C@H](C)CCC[C@H]2C)cc1.
What is the InChIKey of 1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-3-(4-ethoxyphenyl)urea?
The InChIKey is CEONUKADDXRNBN-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-4-23-17-10-8-16(9-11-17)20-18(22)19-12-13-21-14(2)6-5-7-15(21)3/h8-11,14-15H,4-7,12-13H2,1-3H3,(H2,19,20,22)/t14-,15-/m1/s1.
What are the key properties of 1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-3-(4-ethoxyphenyl)urea?
1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-3-(4-ethoxyphenyl)urea has a molecular weight of 319.45 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-3-(4-ethoxyphenyl)urea is sourced from PubChem (CID 769372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).