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

C18H31N5O2 — CID 51084464

IUPAC4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[2-(3-methylpiperidin-1-yl)ethyl]piperazine-1-carboxamide
SMILESCc1cc(CN2CCN(C(=O)NCCN3CCCC(C)C3)CC2)no1
InChIInChI=1S/C18H31N5O2/c1-15-4-3-6-21(13-15)7-5-19-18(24)23-10-8-22(9-11-23)14-17-12-16(2)25-20-17/h12,15H,3-11,13-14H2,1-2H3,(H,19,24)
InChIKeyMNSHEYCCGKCODJ-UHFFFAOYSA-N
MW349.48 g/mol
LogP1.54
Rot. Bonds5

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

4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[2-(3-methylpiperidin-1-yl)ethyl]piperazine-1-carboxamide (PubChem CID 51084464) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[2-(3-methylpiperidin-1-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[2-(3-methylpiperidin-1-yl)ethyl]piperazine-1-carboxamide
PubChem CID51084464
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC Name4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[2-(3-methylpiperidin-1-yl)ethyl]piperazine-1-carboxamide
SMILESCc1cc(CN2CCN(C(=O)NCCN3CCCC(C)C3)CC2)no1
InChIInChI=1S/C18H31N5O2/c1-15-4-3-6-21(13-15)7-5-19-18(24)23-10-8-22(9-11-23)14-17-12-16(2)25-20-17/h12,15H,3-11,13-14H2,1-2H3,(H,19,24)
InChIKeyMNSHEYCCGKCODJ-UHFFFAOYSA-N
XLogP1.54
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[2-(3-methylpiperidin-1-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[2-(3-methylpiperidin-1-yl)ethyl]piperazine-1-carboxamide (CID 51084464) is 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[2-(3-methylpiperidin-1-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[2-(3-methylpiperidin-1-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[2-(3-methylpiperidin-1-yl)ethyl]piperazine-1-carboxamide is Cc1cc(CN2CCN(C(=O)NCCN3CCCC(C)C3)CC2)no1.
What is the InChIKey of 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[2-(3-methylpiperidin-1-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is MNSHEYCCGKCODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-15-4-3-6-21(13-15)7-5-19-18(24)23-10-8-22(9-11-23)14-17-12-16(2)25-20-17/h12,15H,3-11,13-14H2,1-2H3,(H,19,24).
What are the key properties of 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[2-(3-methylpiperidin-1-yl)ethyl]piperazine-1-carboxamide?
4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[2-(3-methylpiperidin-1-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[2-(3-methylpiperidin-1-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 51084464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).