1-[(1R,3S)-3-cyclopropylcyclohexyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea

C18H33N3O2 — CID 96562907

IUPAC1-[(1R,3S)-3-cyclopropylcyclohexyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea
SMILESCOC1CCN(CCNC(=O)N[C@@H]2CCC[C@H](C3CC3)C2)CC1
InChIInChI=1S/C18H33N3O2/c1-23-17-7-10-21(11-8-17)12-9-19-18(22)20-16-4-2-3-15(13-16)14-5-6-14/h14-17H,2-13H2,1H3,(H2,19,20,22)/t15-,16+/m0/s1
InChIKeyGBZJXYOFXWSGBL-JKSUJKDBSA-N
MW323.48 g/mol
LogP2.37
Rot. Bonds6

About 1-[(1R,3S)-3-cyclopropylcyclohexyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea

1-[(1R,3S)-3-cyclopropylcyclohexyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea (PubChem CID 96562907) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 1-[(1R,3S)-3-cyclopropylcyclohexyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(1R,3S)-3-cyclopropylcyclohexyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea
PubChem CID96562907
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name1-[(1R,3S)-3-cyclopropylcyclohexyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea
SMILESCOC1CCN(CCNC(=O)N[C@@H]2CCC[C@H](C3CC3)C2)CC1
InChIInChI=1S/C18H33N3O2/c1-23-17-7-10-21(11-8-17)12-9-19-18(22)20-16-4-2-3-15(13-16)14-5-6-14/h14-17H,2-13H2,1H3,(H2,19,20,22)/t15-,16+/m0/s1
InChIKeyGBZJXYOFXWSGBL-JKSUJKDBSA-N
XLogP2.37
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1R,3S)-3-cyclopropylcyclohexyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea with MolForge

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Related Compounds

1-cyclobutyl-3-(2-pyrrolidin-1-ylethyl)urea
CID 115617971
3-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030259
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea
CID 71860616
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2-methylguanidine
CID 119160397
1-cyclohexyl-3-(2-piperazin-1-ylethyl)urea
CID 4056008
1-cycloheptyl-3-(2-morpholin-4-ylethyl)urea
CID 47163906
1-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-[(3S)-1-ethylpiperidin-3-yl]urea
CID 124737020
1-[2-(4-methylpiperazin-1-yl)ethyl]-3-piperidin-3-ylurea
CID 117235825
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(1-ethylpiperidin-3-yl)urea
CID 75404998
1-cyclohexyl-3-(5-piperidin-1-ylpentyl)urea
CID 110446919
1-(4-methylcyclohexyl)-3-(2-piperidin-1-ylethyl)urea;propan-2-one
CID 142100841
1-[1-(3,4-difluorophenyl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea
CID 71923833

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3S)-3-cyclopropylcyclohexyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea?
The IUPAC name of 1-[(1R,3S)-3-cyclopropylcyclohexyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea (CID 96562907) is 1-[(1R,3S)-3-cyclopropylcyclohexyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-[(1R,3S)-3-cyclopropylcyclohexyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea?
The canonical SMILES for 1-[(1R,3S)-3-cyclopropylcyclohexyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea is COC1CCN(CCNC(=O)N[C@@H]2CCC[C@H](C3CC3)C2)CC1.
What is the InChIKey of 1-[(1R,3S)-3-cyclopropylcyclohexyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea?
The InChIKey is GBZJXYOFXWSGBL-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-23-17-7-10-21(11-8-17)12-9-19-18(22)20-16-4-2-3-15(13-16)14-5-6-14/h14-17H,2-13H2,1H3,(H2,19,20,22)/t15-,16+/m0/s1.
What are the key properties of 1-[(1R,3S)-3-cyclopropylcyclohexyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea?
1-[(1R,3S)-3-cyclopropylcyclohexyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea has a molecular weight of 323.48 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3S)-3-cyclopropylcyclohexyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea is sourced from PubChem (CID 96562907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).