4-(methoxymethyl)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]piperidine-4-carboxamide

C21H29N3O3 — CID 120628071

IUPAC4-(methoxymethyl)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)N(C)CCCc2cc(-c3ccccc3)no2)CCNCC1
InChIInChI=1S/C21H29N3O3/c1-24(20(25)21(16-26-2)10-12-22-13-11-21)14-6-9-18-15-19(23-27-18)17-7-4-3-5-8-17/h3-5,7-8,15,22H,6,9-14,16H2,1-2H3
InChIKeyCLZJMMDEDQNGPS-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.75
Rot. Bonds8

About 4-(methoxymethyl)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]piperidine-4-carboxamide

4-(methoxymethyl)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]piperidine-4-carboxamide (PubChem CID 120628071) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]piperidine-4-carboxamide
PubChem CID120628071
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name4-(methoxymethyl)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)N(C)CCCc2cc(-c3ccccc3)no2)CCNCC1
InChIInChI=1S/C21H29N3O3/c1-24(20(25)21(16-26-2)10-12-22-13-11-21)14-6-9-18-15-19(23-27-18)17-7-4-3-5-8-17/h3-5,7-8,15,22H,6,9-14,16H2,1-2H3
InChIKeyCLZJMMDEDQNGPS-UHFFFAOYSA-N
XLogP2.75
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]piperidine-4-carboxamide?
The IUPAC name of 4-(methoxymethyl)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]piperidine-4-carboxamide (CID 120628071) is 4-(methoxymethyl)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-(methoxymethyl)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 4-(methoxymethyl)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]piperidine-4-carboxamide is COCC1(C(=O)N(C)CCCc2cc(-c3ccccc3)no2)CCNCC1.
What is the InChIKey of 4-(methoxymethyl)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]piperidine-4-carboxamide?
The InChIKey is CLZJMMDEDQNGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-24(20(25)21(16-26-2)10-12-22-13-11-21)14-6-9-18-15-19(23-27-18)17-7-4-3-5-8-17/h3-5,7-8,15,22H,6,9-14,16H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]piperidine-4-carboxamide?
4-(methoxymethyl)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]piperidine-4-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 120628071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).