[(2R)-1-[4-(2,6-dimethylphenoxy)piperidin-1-yl]-1-oxopropan-2-yl]urea

C17H25N3O3 — CID 94636207

IUPAC[(2R)-1-[4-(2,6-dimethylphenoxy)piperidin-1-yl]-1-oxopropan-2-yl]urea
SMILESCc1cccc(C)c1OC1CCN(C(=O)[C@@H](C)NC(N)=O)CC1
InChIInChI=1S/C17H25N3O3/c1-11-5-4-6-12(2)15(11)23-14-7-9-20(10-8-14)16(21)13(3)19-17(18)22/h4-6,13-14H,7-10H2,1-3H3,(H3,18,19,22)/t13-/m1/s1
InChIKeyPIBTTYCDDGUXBO-CYBMUJFWSA-N
MW319.41 g/mol
LogP1.73
Rot. Bonds4

About [(2R)-1-[4-(2,6-dimethylphenoxy)piperidin-1-yl]-1-oxopropan-2-yl]urea

[(2R)-1-[4-(2,6-dimethylphenoxy)piperidin-1-yl]-1-oxopropan-2-yl]urea (PubChem CID 94636207) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is [(2R)-1-[4-(2,6-dimethylphenoxy)piperidin-1-yl]-1-oxopropan-2-yl]urea.

Molecular Properties

Compound Name[(2R)-1-[4-(2,6-dimethylphenoxy)piperidin-1-yl]-1-oxopropan-2-yl]urea
PubChem CID94636207
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name[(2R)-1-[4-(2,6-dimethylphenoxy)piperidin-1-yl]-1-oxopropan-2-yl]urea
SMILESCc1cccc(C)c1OC1CCN(C(=O)[C@@H](C)NC(N)=O)CC1
InChIInChI=1S/C17H25N3O3/c1-11-5-4-6-12(2)15(11)23-14-7-9-20(10-8-14)16(21)13(3)19-17(18)22/h4-6,13-14H,7-10H2,1-3H3,(H3,18,19,22)/t13-/m1/s1
InChIKeyPIBTTYCDDGUXBO-CYBMUJFWSA-N
XLogP1.73
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[4-(2,6-dimethylphenoxy)piperidin-1-yl]propanamide
CID 94413323
[(2S)-1-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-1-oxopropan-2-yl]urea
CID 136580930
N-[1-[4-(2,6-dimethylphenoxy)piperidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-2-fluorobenzenesulfonamide
CID 55859325
[(2R)-1-[4-(4-chlorophenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea
CID 95869074
[(2S)-1-oxo-1-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-2-yl]carbamic acid
CID 67529467
tert-butyl N-[(2S)-1-oxo-1-(4-pyridin-4-yloxypiperidin-1-yl)propan-2-yl]carbamate
CID 124727874
[1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]urea
CID 47102273
[4-(2,6-dimethylphenoxy)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 56814277
[1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]urea
CID 79410835
[1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-oxopropan-2-yl]urea
CID 112761722
1-[2-(2,6-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid
CID 54793718
[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea
CID 18159287

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[4-(2,6-dimethylphenoxy)piperidin-1-yl]-1-oxopropan-2-yl]urea?
The IUPAC name of [(2R)-1-[4-(2,6-dimethylphenoxy)piperidin-1-yl]-1-oxopropan-2-yl]urea (CID 94636207) is [(2R)-1-[4-(2,6-dimethylphenoxy)piperidin-1-yl]-1-oxopropan-2-yl]urea.
What is the SMILES notation for [(2R)-1-[4-(2,6-dimethylphenoxy)piperidin-1-yl]-1-oxopropan-2-yl]urea?
The canonical SMILES for [(2R)-1-[4-(2,6-dimethylphenoxy)piperidin-1-yl]-1-oxopropan-2-yl]urea is Cc1cccc(C)c1OC1CCN(C(=O)[C@@H](C)NC(N)=O)CC1.
What is the InChIKey of [(2R)-1-[4-(2,6-dimethylphenoxy)piperidin-1-yl]-1-oxopropan-2-yl]urea?
The InChIKey is PIBTTYCDDGUXBO-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-11-5-4-6-12(2)15(11)23-14-7-9-20(10-8-14)16(21)13(3)19-17(18)22/h4-6,13-14H,7-10H2,1-3H3,(H3,18,19,22)/t13-/m1/s1.
What are the key properties of [(2R)-1-[4-(2,6-dimethylphenoxy)piperidin-1-yl]-1-oxopropan-2-yl]urea?
[(2R)-1-[4-(2,6-dimethylphenoxy)piperidin-1-yl]-1-oxopropan-2-yl]urea has a molecular weight of 319.41 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[4-(2,6-dimethylphenoxy)piperidin-1-yl]-1-oxopropan-2-yl]urea is sourced from PubChem (CID 94636207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).