1-prop-1-ynylpiperidine-4-carboxamide;hydrochloride

C9H15ClN2O — CID 141032515

IUPAC1-prop-1-ynylpiperidine-4-carboxamide;hydrochloride
SMILESCC#CN1CCC(C(N)=O)CC1.Cl
InChIInChI=1S/C9H14N2O.ClH/c1-2-5-11-6-3-8(4-7-11)9(10)12;/h8H,3-4,6-7H2,1H3,(H2,10,12);1H
InChIKeyGIDFROZHPOACSL-UHFFFAOYSA-N
MW202.68 g/mol
LogP0.59
Rot. Bonds1

About 1-prop-1-ynylpiperidine-4-carboxamide;hydrochloride

1-prop-1-ynylpiperidine-4-carboxamide;hydrochloride (PubChem CID 141032515) has the molecular formula C9H15ClN2O and a molecular weight of 202.68 g/mol. Its IUPAC name is 1-prop-1-ynylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-prop-1-ynylpiperidine-4-carboxamide;hydrochloride
PubChem CID141032515
Molecular FormulaC9H15ClN2O
Molecular Weight202.68 g/mol
Exact Mass202.09
IUPAC Name1-prop-1-ynylpiperidine-4-carboxamide;hydrochloride
SMILESCC#CN1CCC(C(N)=O)CC1.Cl
InChIInChI=1S/C9H14N2O.ClH/c1-2-5-11-6-3-8(4-7-11)9(10)12;/h8H,3-4,6-7H2,1H3,(H2,10,12);1H
InChIKeyGIDFROZHPOACSL-UHFFFAOYSA-N
XLogP0.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-1-ynylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-prop-1-ynylpiperidine-4-carboxamide;hydrochloride (CID 141032515) is 1-prop-1-ynylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-prop-1-ynylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-prop-1-ynylpiperidine-4-carboxamide;hydrochloride is CC#CN1CCC(C(N)=O)CC1.Cl.
What is the InChIKey of 1-prop-1-ynylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is GIDFROZHPOACSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O.ClH/c1-2-5-11-6-3-8(4-7-11)9(10)12;/h8H,3-4,6-7H2,1H3,(H2,10,12);1H.
What are the key properties of 1-prop-1-ynylpiperidine-4-carboxamide;hydrochloride?
1-prop-1-ynylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 202.68 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-ynylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 141032515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).