N-ethyl-1-prop-2-enoylpiperidine-4-carboxamide

C11H18N2O2 — CID 60948693

IUPACN-ethyl-1-prop-2-enoylpiperidine-4-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)NCC)CC1
InChIInChI=1S/C11H18N2O2/c1-3-10(14)13-7-5-9(6-8-13)11(15)12-4-2/h3,9H,1,4-8H2,2H3,(H,12,15)
InChIKeyGWPZJWVPEWZOOE-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.55
Rot. Bonds3

About N-ethyl-1-prop-2-enoylpiperidine-4-carboxamide

N-ethyl-1-prop-2-enoylpiperidine-4-carboxamide (PubChem CID 60948693) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-ethyl-1-prop-2-enoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-prop-2-enoylpiperidine-4-carboxamide
PubChem CID60948693
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN-ethyl-1-prop-2-enoylpiperidine-4-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)NCC)CC1
InChIInChI=1S/C11H18N2O2/c1-3-10(14)13-7-5-9(6-8-13)11(15)12-4-2/h3,9H,1,4-8H2,2H3,(H,12,15)
InChIKeyGWPZJWVPEWZOOE-UHFFFAOYSA-N
XLogP0.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-prop-2-enoylpiperidine-4-carboxamide?
The IUPAC name of N-ethyl-1-prop-2-enoylpiperidine-4-carboxamide (CID 60948693) is N-ethyl-1-prop-2-enoylpiperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-1-prop-2-enoylpiperidine-4-carboxamide?
The canonical SMILES for N-ethyl-1-prop-2-enoylpiperidine-4-carboxamide is C=CC(=O)N1CCC(C(=O)NCC)CC1.
What is the InChIKey of N-ethyl-1-prop-2-enoylpiperidine-4-carboxamide?
The InChIKey is GWPZJWVPEWZOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-10(14)13-7-5-9(6-8-13)11(15)12-4-2/h3,9H,1,4-8H2,2H3,(H,12,15).
What are the key properties of N-ethyl-1-prop-2-enoylpiperidine-4-carboxamide?
N-ethyl-1-prop-2-enoylpiperidine-4-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-prop-2-enoylpiperidine-4-carboxamide is sourced from PubChem (CID 60948693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).