1-(4-aminopiperidin-1-yl)hept-5-yn-2-one

C12H20N2O — CID 116593394

IUPAC1-(4-aminopiperidin-1-yl)hept-5-yn-2-one
SMILESCC#CCCC(=O)CN1CCC(N)CC1
InChIInChI=1S/C12H20N2O/c1-2-3-4-5-12(15)10-14-8-6-11(13)7-9-14/h11H,4-10,13H2,1H3
InChIKeyJKUVLMNSUBWDEW-UHFFFAOYSA-N
MW208.30 g/mol
LogP0.78
Rot. Bonds4

About 1-(4-aminopiperidin-1-yl)hept-5-yn-2-one

1-(4-aminopiperidin-1-yl)hept-5-yn-2-one (PubChem CID 116593394) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)hept-5-yn-2-one.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)hept-5-yn-2-one
PubChem CID116593394
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-(4-aminopiperidin-1-yl)hept-5-yn-2-one
SMILESCC#CCCC(=O)CN1CCC(N)CC1
InChIInChI=1S/C12H20N2O/c1-2-3-4-5-12(15)10-14-8-6-11(13)7-9-14/h11H,4-10,13H2,1H3
InChIKeyJKUVLMNSUBWDEW-UHFFFAOYSA-N
XLogP0.78
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminopiperidin-1-yl)-N-pent-3-ynylacetamide
CID 116644130
1-(4-aminopiperidin-1-yl)-3-methoxypropan-2-one
CID 116593221
1-piperidin-4-ylhept-5-yn-2-one
CID 116560051
4-(4-aminopiperidin-1-yl)butanamide
CID 118533814
4-amino-1-(4-methylpiperidin-1-yl)butan-2-one;hydrochloride
CID 83967303
2-(4-aminopiperidin-1-yl)-N,N-di(propan-2-yl)acetamide
CID 43556875
1-cyclopropylhex-4-yn-1-one
CID 63351582
ethyl 5-[4-(methoxymethyl)piperidin-1-yl]-4-oxopentanoate
CID 103484490
1-(2-bicyclo[2.2.1]heptanyl)hept-5-yn-2-one
CID 115801619
2-(4-aminopiperidin-1-yl)-N-tert-butylacetamide;dihydrochloride
CID 56773517
methyl 4-(4-aminopiperidin-1-yl)butanoate
CID 43556647
2-(4-aminoazepan-1-yl)-N,N-dimethylacetamide
CID 127011721

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)hept-5-yn-2-one?
The IUPAC name of 1-(4-aminopiperidin-1-yl)hept-5-yn-2-one (CID 116593394) is 1-(4-aminopiperidin-1-yl)hept-5-yn-2-one.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)hept-5-yn-2-one?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)hept-5-yn-2-one is CC#CCCC(=O)CN1CCC(N)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)hept-5-yn-2-one?
The InChIKey is JKUVLMNSUBWDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-2-3-4-5-12(15)10-14-8-6-11(13)7-9-14/h11H,4-10,13H2,1H3.
What are the key properties of 1-(4-aminopiperidin-1-yl)hept-5-yn-2-one?
1-(4-aminopiperidin-1-yl)hept-5-yn-2-one has a molecular weight of 208.30 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)hept-5-yn-2-one is sourced from PubChem (CID 116593394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).