4-(2-aminoethyl)-N-prop-2-ynylpiperazine-1-carboxamide

C10H18N4O — CID 82508126

IUPAC4-(2-aminoethyl)-N-prop-2-ynylpiperazine-1-carboxamide
SMILESC#CCNC(=O)N1CCN(CCN)CC1
InChIInChI=1S/C10H18N4O/c1-2-4-12-10(15)14-8-6-13(5-3-11)7-9-14/h1H,3-9,11H2,(H,12,15)
InChIKeyZHOZGSLOBROVBM-UHFFFAOYSA-N
MW210.28 g/mol
LogP-1.09
Rot. Bonds3

About 4-(2-aminoethyl)-N-prop-2-ynylpiperazine-1-carboxamide

4-(2-aminoethyl)-N-prop-2-ynylpiperazine-1-carboxamide (PubChem CID 82508126) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-prop-2-ynylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-prop-2-ynylpiperazine-1-carboxamide
PubChem CID82508126
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-(2-aminoethyl)-N-prop-2-ynylpiperazine-1-carboxamide
SMILESC#CCNC(=O)N1CCN(CCN)CC1
InChIInChI=1S/C10H18N4O/c1-2-4-12-10(15)14-8-6-13(5-3-11)7-9-14/h1H,3-9,11H2,(H,12,15)
InChIKeyZHOZGSLOBROVBM-UHFFFAOYSA-N
XLogP-1.09
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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4-methyl-1-(prop-2-ynylcarbamoyl)piperidine-4-carboxylic acid
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4-(2-aminoethyl)-N-[(E)-2-cyclopentylprop-1-enyl]piperazine-1-carboxamide
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4-(2-aminoethyl)-N-[(2,3-dimethylphenoxy)methyl]piperazine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-prop-2-ynylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-aminoethyl)-N-prop-2-ynylpiperazine-1-carboxamide (CID 82508126) is 4-(2-aminoethyl)-N-prop-2-ynylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-prop-2-ynylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-aminoethyl)-N-prop-2-ynylpiperazine-1-carboxamide is C#CCNC(=O)N1CCN(CCN)CC1.
What is the InChIKey of 4-(2-aminoethyl)-N-prop-2-ynylpiperazine-1-carboxamide?
The InChIKey is ZHOZGSLOBROVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-2-4-12-10(15)14-8-6-13(5-3-11)7-9-14/h1H,3-9,11H2,(H,12,15).
What are the key properties of 4-(2-aminoethyl)-N-prop-2-ynylpiperazine-1-carboxamide?
4-(2-aminoethyl)-N-prop-2-ynylpiperazine-1-carboxamide has a molecular weight of 210.28 g/mol, XLogP of -1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-prop-2-ynylpiperazine-1-carboxamide is sourced from PubChem (CID 82508126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).