[4-(1H-imidazol-5-yl)piperidin-1-yl]-(1-methylcyclopropyl)methanone

C13H19N3O — CID 19097430

IUPAC[4-(1H-imidazol-5-yl)piperidin-1-yl]-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)N2CCC(c3cnc[nH]3)CC2)CC1
InChIInChI=1S/C13H19N3O/c1-13(4-5-13)12(17)16-6-2-10(3-7-16)11-8-14-9-15-11/h8-10H,2-7H2,1H3,(H,14,15)
InChIKeySWGDRIQCKYKGBZ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.92
Rot. Bonds2

About [4-(1H-imidazol-5-yl)piperidin-1-yl]-(1-methylcyclopropyl)methanone

[4-(1H-imidazol-5-yl)piperidin-1-yl]-(1-methylcyclopropyl)methanone (PubChem CID 19097430) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is [4-(1H-imidazol-5-yl)piperidin-1-yl]-(1-methylcyclopropyl)methanone.

Molecular Properties

Compound Name[4-(1H-imidazol-5-yl)piperidin-1-yl]-(1-methylcyclopropyl)methanone
PubChem CID19097430
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name[4-(1H-imidazol-5-yl)piperidin-1-yl]-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)N2CCC(c3cnc[nH]3)CC2)CC1
InChIInChI=1S/C13H19N3O/c1-13(4-5-13)12(17)16-6-2-10(3-7-16)11-8-14-9-15-11/h8-10H,2-7H2,1H3,(H,14,15)
InChIKeySWGDRIQCKYKGBZ-UHFFFAOYSA-N
XLogP1.92
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(1H-imidazol-5-yl)piperidin-1-yl]-(1-methylcyclopropyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(1H-imidazol-5-yl)piperidin-1-yl]-(1-methylcyclopropyl)methanone?
The IUPAC name of [4-(1H-imidazol-5-yl)piperidin-1-yl]-(1-methylcyclopropyl)methanone (CID 19097430) is [4-(1H-imidazol-5-yl)piperidin-1-yl]-(1-methylcyclopropyl)methanone.
What is the SMILES notation for [4-(1H-imidazol-5-yl)piperidin-1-yl]-(1-methylcyclopropyl)methanone?
The canonical SMILES for [4-(1H-imidazol-5-yl)piperidin-1-yl]-(1-methylcyclopropyl)methanone is CC1(C(=O)N2CCC(c3cnc[nH]3)CC2)CC1.
What is the InChIKey of [4-(1H-imidazol-5-yl)piperidin-1-yl]-(1-methylcyclopropyl)methanone?
The InChIKey is SWGDRIQCKYKGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-13(4-5-13)12(17)16-6-2-10(3-7-16)11-8-14-9-15-11/h8-10H,2-7H2,1H3,(H,14,15).
What are the key properties of [4-(1H-imidazol-5-yl)piperidin-1-yl]-(1-methylcyclopropyl)methanone?
[4-(1H-imidazol-5-yl)piperidin-1-yl]-(1-methylcyclopropyl)methanone has a molecular weight of 233.31 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-imidazol-5-yl)piperidin-1-yl]-(1-methylcyclopropyl)methanone is sourced from PubChem (CID 19097430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).