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

C19H32N4O2 — CID 47865699

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
SMILESCc1noc(C)c1CNC(=O)N1CCC(CN2CCC(C)CC2)CC1
InChIInChI=1S/C19H32N4O2/c1-14-4-8-22(9-5-14)13-17-6-10-23(11-7-17)19(24)20-12-18-15(2)21-25-16(18)3/h14,17H,4-13H2,1-3H3,(H,20,24)
InChIKeyQAANPJMZAGYIMK-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.94
Rot. Bonds4

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide (PubChem CID 47865699) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
PubChem CID47865699
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
SMILESCc1noc(C)c1CNC(=O)N1CCC(CN2CCC(C)CC2)CC1
InChIInChI=1S/C19H32N4O2/c1-14-4-8-22(9-5-14)13-17-6-10-23(11-7-17)19(24)20-12-18-15(2)21-25-16(18)3/h14,17H,4-13H2,1-3H3,(H,20,24)
InChIKeyQAANPJMZAGYIMK-UHFFFAOYSA-N
XLogP2.94
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide (CID 47865699) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide is Cc1noc(C)c1CNC(=O)N1CCC(CN2CCC(C)CC2)CC1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide?
The InChIKey is QAANPJMZAGYIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-14-4-8-22(9-5-14)13-17-6-10-23(11-7-17)19(24)20-12-18-15(2)21-25-16(18)3/h14,17H,4-13H2,1-3H3,(H,20,24).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 47865699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).