1-(5-chloro-2-methoxyphenyl)-3-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]urea

C20H29ClN4O3 — CID 143075390

IUPAC1-(5-chloro-2-methoxyphenyl)-3-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]urea
SMILESCOc1ccc(Cl)cc1NC(=O)NCC(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C20H29ClN4O3/c1-28-18-6-5-15(21)13-17(18)23-20(27)22-14-19(26)25-11-7-16(8-12-25)24-9-3-2-4-10-24/h5-6,13,16H,2-4,7-12,14H2,1H3,(H2,22,23,27)
InChIKeyIXOWRYGAHIPJNJ-UHFFFAOYSA-N
MW408.93 g/mol
LogP2.95
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-3-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]urea

1-(5-chloro-2-methoxyphenyl)-3-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]urea (PubChem CID 143075390) has the molecular formula C20H29ClN4O3 and a molecular weight of 408.93 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]urea
PubChem CID143075390
Molecular FormulaC20H29ClN4O3
Molecular Weight408.93 g/mol
Exact Mass408.19
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]urea
SMILESCOc1ccc(Cl)cc1NC(=O)NCC(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C20H29ClN4O3/c1-28-18-6-5-15(21)13-17(18)23-20(27)22-14-19(26)25-11-7-16(8-12-25)24-9-3-2-4-10-24/h5-6,13,16H,2-4,7-12,14H2,1H3,(H2,22,23,27)
InChIKeyIXOWRYGAHIPJNJ-UHFFFAOYSA-N
XLogP2.95
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-(2-piperidin-1-ylethyl)urea
CID 2225448
methyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]acetate
CID 108875604
N-(5-chloro-2-methoxyphenyl)-1-pentanoylpiperidine-4-carboxamide
CID 113007400
1-(5-chloro-2-methoxyphenyl)-3-cyclododecylurea
CID 108875500
1-(5-chloro-2-methoxyphenyl)-3-(cyanomethyl)urea
CID 108864649
(3S)-1-[(5-chloro-2-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121106
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(cyclooctylamino)propanamide
CID 7509630
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(cyclohexylamino)propanamide
CID 40602408
[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 56551226
(3R)-N-(5-chloro-2-methoxyphenyl)-3-morpholin-4-ylpiperidine-1-carboxamide
CID 25302330
(3R)-N-(5-chloro-2-methoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430962
1-(5-chloro-2-methoxyphenyl)-3-methylurea;1-cyclohexyl-4-(2-propan-2-yloxyphenyl)piperazine
CID 143389069

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]urea (CID 143075390) is 1-(5-chloro-2-methoxyphenyl)-3-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]urea is COc1ccc(Cl)cc1NC(=O)NCC(=O)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]urea?
The InChIKey is IXOWRYGAHIPJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN4O3/c1-28-18-6-5-15(21)13-17(18)23-20(27)22-14-19(26)25-11-7-16(8-12-25)24-9-3-2-4-10-24/h5-6,13,16H,2-4,7-12,14H2,1H3,(H2,22,23,27).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]urea?
1-(5-chloro-2-methoxyphenyl)-3-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]urea has a molecular weight of 408.93 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]urea is sourced from PubChem (CID 143075390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).