1-(2-amino-2-oxoethyl)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide

C17H29N5O2 — CID 70759029

IUPAC1-(2-amino-2-oxoethyl)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide
SMILESCCn1nc(C)c(CCNC(=O)C2CCCN(CC(N)=O)C2)c1C
InChIInChI=1S/C17H29N5O2/c1-4-22-13(3)15(12(2)20-22)7-8-19-17(24)14-6-5-9-21(10-14)11-16(18)23/h14H,4-11H2,1-3H3,(H2,18,23)(H,19,24)
InChIKeyJCPNNJYEMDIAGO-UHFFFAOYSA-N
MW335.45 g/mol
LogP0.38
Rot. Bonds7

About 1-(2-amino-2-oxoethyl)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide

1-(2-amino-2-oxoethyl)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide (PubChem CID 70759029) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide
PubChem CID70759029
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name1-(2-amino-2-oxoethyl)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide
SMILESCCn1nc(C)c(CCNC(=O)C2CCCN(CC(N)=O)C2)c1C
InChIInChI=1S/C17H29N5O2/c1-4-22-13(3)15(12(2)20-22)7-8-19-17(24)14-6-5-9-21(10-14)11-16(18)23/h14H,4-11H2,1-3H3,(H2,18,23)(H,19,24)
InChIKeyJCPNNJYEMDIAGO-UHFFFAOYSA-N
XLogP0.38
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(2-amino-2-oxoethyl)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide (CID 70759029) is 1-(2-amino-2-oxoethyl)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide is CCn1nc(C)c(CCNC(=O)C2CCCN(CC(N)=O)C2)c1C.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is JCPNNJYEMDIAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-4-22-13(3)15(12(2)20-22)7-8-19-17(24)14-6-5-9-21(10-14)11-16(18)23/h14H,4-11H2,1-3H3,(H2,18,23)(H,19,24).
What are the key properties of 1-(2-amino-2-oxoethyl)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide?
1-(2-amino-2-oxoethyl)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 70759029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).