(3R)-1-prop-2-enoylpiperidine-3-carboxamide

C9H14N2O2 — CID 129365087

IUPAC(3R)-1-prop-2-enoylpiperidine-3-carboxamide
SMILESC=CC(=O)N1CCC[C@@H](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)/t7-/m1/s1
InChIKeyURBHUGQFAFSSRQ-SSDOTTSWSA-N
MW182.22 g/mol
LogP-0.10
Rot. Bonds2

About (3R)-1-prop-2-enoylpiperidine-3-carboxamide

(3R)-1-prop-2-enoylpiperidine-3-carboxamide (PubChem CID 129365087) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is (3R)-1-prop-2-enoylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-prop-2-enoylpiperidine-3-carboxamide
PubChem CID129365087
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name(3R)-1-prop-2-enoylpiperidine-3-carboxamide
SMILESC=CC(=O)N1CCC[C@@H](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)/t7-/m1/s1
InChIKeyURBHUGQFAFSSRQ-SSDOTTSWSA-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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Frequently Asked Questions

What is the IUPAC name of (3R)-1-prop-2-enoylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-prop-2-enoylpiperidine-3-carboxamide (CID 129365087) is (3R)-1-prop-2-enoylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-prop-2-enoylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-prop-2-enoylpiperidine-3-carboxamide is C=CC(=O)N1CCC[C@@H](C(N)=O)C1.
What is the InChIKey of (3R)-1-prop-2-enoylpiperidine-3-carboxamide?
The InChIKey is URBHUGQFAFSSRQ-SSDOTTSWSA-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)/t7-/m1/s1.
What are the key properties of (3R)-1-prop-2-enoylpiperidine-3-carboxamide?
(3R)-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 (3R)-1-prop-2-enoylpiperidine-3-carboxamide is sourced from PubChem (CID 129365087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).