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

C17H29N5O2 — CID 71868350

IUPACN-[2-(1-methylpiperidin-4-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
SMILESCN1CCC(CCNC(=O)N2CCN(Cc3ccon3)CC2)CC1
InChIInChI=1S/C17H29N5O2/c1-20-7-3-15(4-8-20)2-6-18-17(23)22-11-9-21(10-12-22)14-16-5-13-24-19-16/h5,13,15H,2-4,6-12,14H2,1H3,(H,18,23)
InChIKeyFFASMIQRBPKMKN-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.23
Rot. Bonds5

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

N-[2-(1-methylpiperidin-4-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide (PubChem CID 71868350) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[2-(1-methylpiperidin-4-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylpiperidin-4-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
PubChem CID71868350
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC NameN-[2-(1-methylpiperidin-4-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
SMILESCN1CCC(CCNC(=O)N2CCN(Cc3ccon3)CC2)CC1
InChIInChI=1S/C17H29N5O2/c1-20-7-3-15(4-8-20)2-6-18-17(23)22-11-9-21(10-12-22)14-16-5-13-24-19-16/h5,13,15H,2-4,6-12,14H2,1H3,(H,18,23)
InChIKeyFFASMIQRBPKMKN-UHFFFAOYSA-N
XLogP1.23
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide (CID 71868350) is N-[2-(1-methylpiperidin-4-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(1-methylpiperidin-4-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(1-methylpiperidin-4-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide is CN1CCC(CCNC(=O)N2CCN(Cc3ccon3)CC2)CC1.
What is the InChIKey of N-[2-(1-methylpiperidin-4-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide?
The InChIKey is FFASMIQRBPKMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-20-7-3-15(4-8-20)2-6-18-17(23)22-11-9-21(10-12-22)14-16-5-13-24-19-16/h5,13,15H,2-4,6-12,14H2,1H3,(H,18,23).
What are the key properties of N-[2-(1-methylpiperidin-4-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide?
N-[2-(1-methylpiperidin-4-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpiperidin-4-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 71868350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).