1-prop-2-enoylpiperidine-3-carboxamide

C9H14N2O2 — CID 43616248

IUPAC1-prop-2-enoylpiperidine-3-carboxamide
SMILESC=CC(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C9H14N2O2/c1-2-8(12)11-5-3-4-7(6-11)9(10)13/h2,7H,1,3-6H2,(H2,10,13)
InChIKeyURBHUGQFAFSSRQ-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.10
Rot. Bonds2

About 1-prop-2-enoylpiperidine-3-carboxamide

1-prop-2-enoylpiperidine-3-carboxamide (PubChem CID 43616248) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-prop-2-enoylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-prop-2-enoylpiperidine-3-carboxamide
PubChem CID43616248
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-prop-2-enoylpiperidine-3-carboxamide
SMILESC=CC(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C9H14N2O2/c1-2-8(12)11-5-3-4-7(6-11)9(10)13/h2,7H,1,3-6H2,(H2,10,13)
InChIKeyURBHUGQFAFSSRQ-UHFFFAOYSA-N
XLogP-0.10
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.10
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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Related Compounds

N-prop-2-enyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
CID 110344180
1-Prop-2-enoyl-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 145906685
1-[(E)-4-[methyl(2,2,2-trifluoroethyl)amino]but-2-enoyl]piperidine-3-carboxamide
CID 154874534
1-[2-(Diallylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 50983691
N-prop-2-enoylpiperidine-3-carboxamide
CID 24857684
1-Prop-2-enoylpiperidine-4-carboxamide
CID 43616267
1-[3-(Aminomethyl)piperidin-1-yl]prop-2-en-1-one
CID 61789438
1-Prop-2-enylpiperidine-3-carboxamide
CID 70137835
N-methyl-1-(prop-2-enoyl)piperidine-3-carboxamide
CID 103195046
N-[3-(3-Methylpiperidin-1-yl)-3-oxopropyl]prop-2-enamide
CID 123663534
1-[(E)-4-(dimethylamino)but-2-enoyl]piperidine-3-carboxamide
CID 124111002
N-[4-(dimethylamino)but-2-enoyl]piperidine-3-carboxamide
CID 124111003

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoylpiperidine-3-carboxamide?
The IUPAC name of 1-prop-2-enoylpiperidine-3-carboxamide (CID 43616248) is 1-prop-2-enoylpiperidine-3-carboxamide.
What is the SMILES notation for 1-prop-2-enoylpiperidine-3-carboxamide?
The canonical SMILES for 1-prop-2-enoylpiperidine-3-carboxamide is C=CC(=O)N1CCCC(C(N)=O)C1.
What is the InChIKey of 1-prop-2-enoylpiperidine-3-carboxamide?
The InChIKey is URBHUGQFAFSSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-2-8(12)11-5-3-4-7(6-11)9(10)13/h2,7H,1,3-6H2,(H2,10,13).
What are the key properties of 1-prop-2-enoylpiperidine-3-carboxamide?
1-prop-2-enoylpiperidine-3-carboxamide has a molecular weight of 182.22 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoylpiperidine-3-carboxamide is sourced from PubChem (CID 43616248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).