1-[4-(but-2-ynylamino)piperidin-1-yl]propan-1-one

C12H20N2O — CID 115866481

IUPAC1-[4-(but-2-ynylamino)piperidin-1-yl]propan-1-one
SMILESCC#CCNC1CCN(C(=O)CC)CC1
InChIInChI=1S/C12H20N2O/c1-3-5-8-13-11-6-9-14(10-7-11)12(15)4-2/h11,13H,4,6-10H2,1-2H3
InChIKeyOVGBFPVJHHGLGJ-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.00
Rot. Bonds3

About 1-[4-(but-2-ynylamino)piperidin-1-yl]propan-1-one

1-[4-(but-2-ynylamino)piperidin-1-yl]propan-1-one (PubChem CID 115866481) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-[4-(but-2-ynylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(but-2-ynylamino)piperidin-1-yl]propan-1-one
PubChem CID115866481
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-[4-(but-2-ynylamino)piperidin-1-yl]propan-1-one
SMILESCC#CCNC1CCN(C(=O)CC)CC1
InChIInChI=1S/C12H20N2O/c1-3-5-8-13-11-6-9-14(10-7-11)12(15)4-2/h11,13H,4,6-10H2,1-2H3
InChIKeyOVGBFPVJHHGLGJ-UHFFFAOYSA-N
XLogP1.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(ethylamino)piperidin-1-yl]propan-1-one
CID 60818400
1-(4-prop-1-ynylpiperidin-1-yl)propan-1-one
CID 156754328
4-(but-2-ynylamino)cyclohexane-1-carboxylic acid
CID 62312161
N-(1-propanoylpiperidin-4-yl)formamide
CID 87856562
2-methyl-N-(1-propanoylpiperidin-4-yl)propanamide
CID 60769090
N-but-2-ynyl-1-(2-methylpropyl)piperidin-4-amine
CID 115901593
1-(4-iodopiperidin-1-yl)propan-1-one
CID 126745875
ethane;1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 145216334
ethane;1-(4-methylpiperidin-1-yl)propan-1-one
CID 143648090
1-(4-ethynylpiperidin-1-yl)propan-1-one
CID 138985920
cyclopropyl-[4-(prop-2-ynylamino)piperidin-1-yl]methanone
CID 63952287
N-but-2-ynyl-1-prop-2-ynylpiperidin-4-amine
CID 115896868

Frequently Asked Questions

What is the IUPAC name of 1-[4-(but-2-ynylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(but-2-ynylamino)piperidin-1-yl]propan-1-one (CID 115866481) is 1-[4-(but-2-ynylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(but-2-ynylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(but-2-ynylamino)piperidin-1-yl]propan-1-one is CC#CCNC1CCN(C(=O)CC)CC1.
What is the InChIKey of 1-[4-(but-2-ynylamino)piperidin-1-yl]propan-1-one?
The InChIKey is OVGBFPVJHHGLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-5-8-13-11-6-9-14(10-7-11)12(15)4-2/h11,13H,4,6-10H2,1-2H3.
What are the key properties of 1-[4-(but-2-ynylamino)piperidin-1-yl]propan-1-one?
1-[4-(but-2-ynylamino)piperidin-1-yl]propan-1-one has a molecular weight of 208.30 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(but-2-ynylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 115866481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).