3-(1H-imidazol-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one

C12H20N4O — CID 112688781

IUPAC3-(1H-imidazol-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCNCc1cnc[nH]1)N1CCCCC1
InChIInChI=1S/C12H20N4O/c17-12(16-6-2-1-3-7-16)4-5-13-8-11-9-14-10-15-11/h9-10,13H,1-8H2,(H,14,15)
InChIKeyIZFJEHXZWYEYNB-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.90
Rot. Bonds5

About 3-(1H-imidazol-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one

3-(1H-imidazol-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one (PubChem CID 112688781) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-(1H-imidazol-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(1H-imidazol-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one
PubChem CID112688781
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-(1H-imidazol-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCNCc1cnc[nH]1)N1CCCCC1
InChIInChI=1S/C12H20N4O/c17-12(16-6-2-1-3-7-16)4-5-13-8-11-9-14-10-15-11/h9-10,13H,1-8H2,(H,14,15)
InChIKeyIZFJEHXZWYEYNB-UHFFFAOYSA-N
XLogP0.90
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-imidazol-5-yl)-1-piperidin-1-ylpropan-1-one
CID 110697826
N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-1-ylethanamine
CID 62761735
N-(3-oxo-3-piperidin-1-ylpropyl)-1H-imidazole-5-sulfonamide
CID 115627036
ethyl 3-(1H-imidazol-5-ylmethylamino)propanoate
CID 62761064
3-[(5-methyl-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 102881036
3-(pyrimidin-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 113411342
1-piperidin-1-yl-3-(1,3-thiazol-4-ylmethylamino)propan-1-one
CID 112686333
3-[(5-hydroxy-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 79775943
1-piperidin-1-yl-3-(thiadiazol-4-ylmethylamino)propan-1-one
CID 115587369
2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetic acid
CID 115581972
(2S)-3-(1H-imidazol-5-yl)-2-(piperidine-1-carbonylamino)propanoic acid
CID 61182505
3-(pyridin-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 28654758

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-(1H-imidazol-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one (CID 112688781) is 3-(1H-imidazol-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(1H-imidazol-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-(1H-imidazol-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one is O=C(CCNCc1cnc[nH]1)N1CCCCC1.
What is the InChIKey of 3-(1H-imidazol-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one?
The InChIKey is IZFJEHXZWYEYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c17-12(16-6-2-1-3-7-16)4-5-13-8-11-9-14-10-15-11/h9-10,13H,1-8H2,(H,14,15).
What are the key properties of 3-(1H-imidazol-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one?
3-(1H-imidazol-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one has a molecular weight of 236.32 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 112688781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).