4-(diethylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-1-carboxamide

C16H28N4O2 — CID 47865546

IUPAC4-(diethylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-1-carboxamide
SMILESCCN(CC)C1CCN(C(=O)NCc2c(C)noc2C)CC1
InChIInChI=1S/C16H28N4O2/c1-5-19(6-2)14-7-9-20(10-8-14)16(21)17-11-15-12(3)18-22-13(15)4/h14H,5-11H2,1-4H3,(H,17,21)
InChIKeyCLKNFXKSMVSSER-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.31
Rot. Bonds5

About 4-(diethylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-1-carboxamide

4-(diethylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-1-carboxamide (PubChem CID 47865546) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 4-(diethylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(diethylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-1-carboxamide
PubChem CID47865546
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name4-(diethylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-1-carboxamide
SMILESCCN(CC)C1CCN(C(=O)NCc2c(C)noc2C)CC1
InChIInChI=1S/C16H28N4O2/c1-5-19(6-2)14-7-9-20(10-8-14)16(21)17-11-15-12(3)18-22-13(15)4/h14H,5-11H2,1-4H3,(H,17,21)
InChIKeyCLKNFXKSMVSSER-UHFFFAOYSA-N
XLogP2.31
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
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
3-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 47010153
1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-hydroxycyclohexyl)-1-methylurea
CID 47239280

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-(diethylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-1-carboxamide (CID 47865546) is 4-(diethylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(diethylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(diethylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-1-carboxamide is CCN(CC)C1CCN(C(=O)NCc2c(C)noc2C)CC1.
What is the InChIKey of 4-(diethylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-1-carboxamide?
The InChIKey is CLKNFXKSMVSSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-5-19(6-2)14-7-9-20(10-8-14)16(21)17-11-15-12(3)18-22-13(15)4/h14H,5-11H2,1-4H3,(H,17,21).
What are the key properties of 4-(diethylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-1-carboxamide?
4-(diethylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-1-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 47865546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).