1-(2-cyanoprop-2-enyl)piperidine-4-carboxamide;dihydrochloride

C10H17Cl2N3O — CID 70574487

IUPAC1-(2-cyanoprop-2-enyl)piperidine-4-carboxamide;dihydrochloride
SMILESC=C(C#N)CN1CCC(C(N)=O)CC1.Cl.Cl
InChIInChI=1S/C10H15N3O.2ClH/c1-8(6-11)7-13-4-2-9(3-5-13)10(12)14;;/h9H,1-5,7H2,(H2,12,14);2*1H
InChIKeySQSNWOYTYXDQQN-UHFFFAOYSA-N
MW266.17 g/mol
LogP1.11
Rot. Bonds3

About 1-(2-cyanoprop-2-enyl)piperidine-4-carboxamide;dihydrochloride

1-(2-cyanoprop-2-enyl)piperidine-4-carboxamide;dihydrochloride (PubChem CID 70574487) has the molecular formula C10H17Cl2N3O and a molecular weight of 266.17 g/mol. Its IUPAC name is 1-(2-cyanoprop-2-enyl)piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-(2-cyanoprop-2-enyl)piperidine-4-carboxamide;dihydrochloride
PubChem CID70574487
Molecular FormulaC10H17Cl2N3O
Molecular Weight266.17 g/mol
Exact Mass265.07
IUPAC Name1-(2-cyanoprop-2-enyl)piperidine-4-carboxamide;dihydrochloride
SMILESC=C(C#N)CN1CCC(C(N)=O)CC1.Cl.Cl
InChIInChI=1S/C10H15N3O.2ClH/c1-8(6-11)7-13-4-2-9(3-5-13)10(12)14;;/h9H,1-5,7H2,(H2,12,14);2*1H
InChIKeySQSNWOYTYXDQQN-UHFFFAOYSA-N
XLogP1.11
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.17
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanoprop-2-enyl)piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of 1-(2-cyanoprop-2-enyl)piperidine-4-carboxamide;dihydrochloride (CID 70574487) is 1-(2-cyanoprop-2-enyl)piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 1-(2-cyanoprop-2-enyl)piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for 1-(2-cyanoprop-2-enyl)piperidine-4-carboxamide;dihydrochloride is C=C(C#N)CN1CCC(C(N)=O)CC1.Cl.Cl.
What is the InChIKey of 1-(2-cyanoprop-2-enyl)piperidine-4-carboxamide;dihydrochloride?
The InChIKey is SQSNWOYTYXDQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O.2ClH/c1-8(6-11)7-13-4-2-9(3-5-13)10(12)14;;/h9H,1-5,7H2,(H2,12,14);2*1H.
What are the key properties of 1-(2-cyanoprop-2-enyl)piperidine-4-carboxamide;dihydrochloride?
1-(2-cyanoprop-2-enyl)piperidine-4-carboxamide;dihydrochloride has a molecular weight of 266.17 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanoprop-2-enyl)piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 70574487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).