3-(1-acetylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea

C15H24N4O3 — CID 51083735

IUPAC3-(1-acetylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
SMILESCC(=O)N1CCC(NC(=O)N(C)Cc2c(C)noc2C)CC1
InChIInChI=1S/C15H24N4O3/c1-10-14(11(2)22-17-10)9-18(4)15(21)16-13-5-7-19(8-6-13)12(3)20/h13H,5-9H2,1-4H3,(H,16,21)
InChIKeyACHXNYBXNKBQPN-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.44
Rot. Bonds3

About 3-(1-acetylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea

3-(1-acetylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea (PubChem CID 51083735) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-(1-acetylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-(1-acetylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
PubChem CID51083735
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name3-(1-acetylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
SMILESCC(=O)N1CCC(NC(=O)N(C)Cc2c(C)noc2C)CC1
InChIInChI=1S/C15H24N4O3/c1-10-14(11(2)22-17-10)9-18(4)15(21)16-13-5-7-19(8-6-13)12(3)20/h13H,5-9H2,1-4H3,(H,16,21)
InChIKeyACHXNYBXNKBQPN-UHFFFAOYSA-N
XLogP1.44
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cyclohex-1-en-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 1245261
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 9506625
9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 3233221
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 9465685
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,5-dimethyl-N-(3-methylbutyl)-1,2-oxazole-4-carboxamide
CID 24686840
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-methyl-N-propylpiperidine-3-carboxamide
CID 46942636
3,5-dimethyl-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-4-isoxazolecarboxamide
CID 2225560
1-[(Dimethyl-1,2-oxazol-4-yl)methyl]piperazine
CID 2772401
1-((Dimethyl-1,2-oxazol-4-yl)methyl)piperazine dihydrochloride
CID 42933684
(5R)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3233416
9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-2,9-diazaspiro[5.5]undecane-2-carboxamide
CID 3234297
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 24687252

Frequently Asked Questions

What is the IUPAC name of 3-(1-acetylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea?
The IUPAC name of 3-(1-acetylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea (CID 51083735) is 3-(1-acetylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea.
What is the SMILES notation for 3-(1-acetylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea?
The canonical SMILES for 3-(1-acetylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea is CC(=O)N1CCC(NC(=O)N(C)Cc2c(C)noc2C)CC1.
What is the InChIKey of 3-(1-acetylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea?
The InChIKey is ACHXNYBXNKBQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-10-14(11(2)22-17-10)9-18(4)15(21)16-13-5-7-19(8-6-13)12(3)20/h13H,5-9H2,1-4H3,(H,16,21).
What are the key properties of 3-(1-acetylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea?
3-(1-acetylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea has a molecular weight of 308.38 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-acetylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea is sourced from PubChem (CID 51083735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).