1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methyl-3-pyrrolidin-1-ylpropan-1-one

C20H32N4O — CID 70752396

IUPAC1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methyl-3-pyrrolidin-1-ylpropan-1-one
SMILESCC(CN1CCCC1)C(=O)N1CCC(c2nccn2CC2CC2)CC1
InChIInChI=1S/C20H32N4O/c1-16(14-22-9-2-3-10-22)20(25)23-11-6-18(7-12-23)19-21-8-13-24(19)15-17-4-5-17/h8,13,16-18H,2-7,9-12,14-15H2,1H3
InChIKeyWPJJAGOVIBEUBX-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.73
Rot. Bonds6

About 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methyl-3-pyrrolidin-1-ylpropan-1-one

1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methyl-3-pyrrolidin-1-ylpropan-1-one (PubChem CID 70752396) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methyl-3-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methyl-3-pyrrolidin-1-ylpropan-1-one
PubChem CID70752396
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methyl-3-pyrrolidin-1-ylpropan-1-one
SMILESCC(CN1CCCC1)C(=O)N1CCC(c2nccn2CC2CC2)CC1
InChIInChI=1S/C20H32N4O/c1-16(14-22-9-2-3-10-22)20(25)23-11-6-18(7-12-23)19-21-8-13-24(19)15-17-4-5-17/h8,13,16-18H,2-7,9-12,14-15H2,1H3
InChIKeyWPJJAGOVIBEUBX-UHFFFAOYSA-N
XLogP2.73
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methyl-3-pyrrolidin-1-ylpropan-1-one 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 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methyl-3-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methyl-3-pyrrolidin-1-ylpropan-1-one (CID 70752396) is 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methyl-3-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methyl-3-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methyl-3-pyrrolidin-1-ylpropan-1-one is CC(CN1CCCC1)C(=O)N1CCC(c2nccn2CC2CC2)CC1.
What is the InChIKey of 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methyl-3-pyrrolidin-1-ylpropan-1-one?
The InChIKey is WPJJAGOVIBEUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-16(14-22-9-2-3-10-22)20(25)23-11-6-18(7-12-23)19-21-8-13-24(19)15-17-4-5-17/h8,13,16-18H,2-7,9-12,14-15H2,1H3.
What are the key properties of 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methyl-3-pyrrolidin-1-ylpropan-1-one?
1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methyl-3-pyrrolidin-1-ylpropan-1-one has a molecular weight of 344.50 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methyl-3-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 70752396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).