4-[bis(prop-2-enyl)amino]piperidine-4-carboxamide

C12H21N3O — CID 67674483

IUPAC4-[bis(prop-2-enyl)amino]piperidine-4-carboxamide
SMILESC=CCN(CC=C)C1(C(N)=O)CCNCC1
InChIInChI=1S/C12H21N3O/c1-3-9-15(10-4-2)12(11(13)16)5-7-14-8-6-12/h3-4,14H,1-2,5-10H2,(H2,13,16)
InChIKeyQBOKDAUYRFSHCT-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.27
Rot. Bonds6

About 4-[bis(prop-2-enyl)amino]piperidine-4-carboxamide

4-[bis(prop-2-enyl)amino]piperidine-4-carboxamide (PubChem CID 67674483) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-[bis(prop-2-enyl)amino]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-[bis(prop-2-enyl)amino]piperidine-4-carboxamide
PubChem CID67674483
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-[bis(prop-2-enyl)amino]piperidine-4-carboxamide
SMILESC=CCN(CC=C)C1(C(N)=O)CCNCC1
InChIInChI=1S/C12H21N3O/c1-3-9-15(10-4-2)12(11(13)16)5-7-14-8-6-12/h3-4,14H,1-2,5-10H2,(H2,13,16)
InChIKeyQBOKDAUYRFSHCT-UHFFFAOYSA-N
XLogP0.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[bis(prop-2-enyl)amino]piperidine-4-carboxamide?
The IUPAC name of 4-[bis(prop-2-enyl)amino]piperidine-4-carboxamide (CID 67674483) is 4-[bis(prop-2-enyl)amino]piperidine-4-carboxamide.
What is the SMILES notation for 4-[bis(prop-2-enyl)amino]piperidine-4-carboxamide?
The canonical SMILES for 4-[bis(prop-2-enyl)amino]piperidine-4-carboxamide is C=CCN(CC=C)C1(C(N)=O)CCNCC1.
What is the InChIKey of 4-[bis(prop-2-enyl)amino]piperidine-4-carboxamide?
The InChIKey is QBOKDAUYRFSHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-9-15(10-4-2)12(11(13)16)5-7-14-8-6-12/h3-4,14H,1-2,5-10H2,(H2,13,16).
What are the key properties of 4-[bis(prop-2-enyl)amino]piperidine-4-carboxamide?
4-[bis(prop-2-enyl)amino]piperidine-4-carboxamide has a molecular weight of 223.32 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(prop-2-enyl)amino]piperidine-4-carboxamide is sourced from PubChem (CID 67674483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).