2-[piperidin-4-yl(prop-2-ynyl)amino]acetamide;dihydrochloride

C10H19Cl2N3O — CID 138040175

IUPAC2-[piperidin-4-yl(prop-2-ynyl)amino]acetamide;dihydrochloride
SMILESC#CCN(CC(N)=O)C1CCNCC1.Cl.Cl
InChIInChI=1S/C10H17N3O.2ClH/c1-2-7-13(8-10(11)14)9-3-5-12-6-4-9;;/h1,9,12H,3-8H2,(H2,11,14);2*1H
InChIKeyQQPYAADMNZAYQJ-UHFFFAOYSA-N
MW268.19 g/mol
LogP0.00
Rot. Bonds4

About 2-[piperidin-4-yl(prop-2-ynyl)amino]acetamide;dihydrochloride

2-[piperidin-4-yl(prop-2-ynyl)amino]acetamide;dihydrochloride (PubChem CID 138040175) has the molecular formula C10H19Cl2N3O and a molecular weight of 268.19 g/mol. Its IUPAC name is 2-[piperidin-4-yl(prop-2-ynyl)amino]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-[piperidin-4-yl(prop-2-ynyl)amino]acetamide;dihydrochloride
PubChem CID138040175
Molecular FormulaC10H19Cl2N3O
Molecular Weight268.19 g/mol
Exact Mass267.09
IUPAC Name2-[piperidin-4-yl(prop-2-ynyl)amino]acetamide;dihydrochloride
SMILESC#CCN(CC(N)=O)C1CCNCC1.Cl.Cl
InChIInChI=1S/C10H17N3O.2ClH/c1-2-7-13(8-10(11)14)9-3-5-12-6-4-9;;/h1,9,12H,3-8H2,(H2,11,14);2*1H
InChIKeyQQPYAADMNZAYQJ-UHFFFAOYSA-N
XLogP0.00
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 50.00
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

2-[[2-(azepan-1-yl)-2-oxoethyl]-piperidin-4-ylamino]acetamide
CID 60801064
2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-piperidin-4-ylamino]acetamide
CID 61489246
2-[2-cyclopentylethyl(piperidin-4-yl)amino]acetamide
CID 114191603
2-[2,3-dihydroxypropyl(piperidin-4-yl)amino]acetamide
CID 82849875
N-(2-amino-2-oxoethyl)-N-piperidin-4-ylcyclopentanecarboxamide
CID 54923795
3-[(2-amino-2-oxoethyl)-piperidin-4-ylamino]-2-hydroxy-2-methylpropanoic acid
CID 104645042
2-[(1-hydroxycyclohexyl)methyl-piperidin-4-ylamino]acetamide
CID 65213870
2-[4-methoxybutyl(piperidin-4-yl)amino]acetamide
CID 104648571
N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-ylcyclopropanecarboxamide
CID 60806195
2-[piperidin-4-yl(1,3-thiazol-5-ylmethyl)amino]acetamide
CID 112641538
2-[(2-oxo-1,3-oxazolidin-5-yl)methyl-piperidin-4-ylamino]acetamide
CID 54923799
2-[(2-chloro-6-fluorophenyl)methyl-piperidin-4-ylamino]acetamide
CID 60801937

Frequently Asked Questions

What is the IUPAC name of 2-[piperidin-4-yl(prop-2-ynyl)amino]acetamide;dihydrochloride?
The IUPAC name of 2-[piperidin-4-yl(prop-2-ynyl)amino]acetamide;dihydrochloride (CID 138040175) is 2-[piperidin-4-yl(prop-2-ynyl)amino]acetamide;dihydrochloride.
What is the SMILES notation for 2-[piperidin-4-yl(prop-2-ynyl)amino]acetamide;dihydrochloride?
The canonical SMILES for 2-[piperidin-4-yl(prop-2-ynyl)amino]acetamide;dihydrochloride is C#CCN(CC(N)=O)C1CCNCC1.Cl.Cl.
What is the InChIKey of 2-[piperidin-4-yl(prop-2-ynyl)amino]acetamide;dihydrochloride?
The InChIKey is QQPYAADMNZAYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O.2ClH/c1-2-7-13(8-10(11)14)9-3-5-12-6-4-9;;/h1,9,12H,3-8H2,(H2,11,14);2*1H.
What are the key properties of 2-[piperidin-4-yl(prop-2-ynyl)amino]acetamide;dihydrochloride?
2-[piperidin-4-yl(prop-2-ynyl)amino]acetamide;dihydrochloride has a molecular weight of 268.19 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[piperidin-4-yl(prop-2-ynyl)amino]acetamide;dihydrochloride is sourced from PubChem (CID 138040175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).