2-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one

C20H32N4O — CID 70765708

IUPAC2-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCC1)N1CCC(c2nccn2CC2CCC2)CC1
InChIInChI=1S/C20H32N4O/c1-16(20(25)23-10-2-3-11-23)22-12-7-18(8-13-22)19-21-9-14-24(19)15-17-5-4-6-17/h9,14,16-18H,2-8,10-13,15H2,1H3
InChIKeyAQINMTNMAXOEJD-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.87
Rot. Bonds5

About 2-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one

2-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 70765708) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 2-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID70765708
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name2-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCC1)N1CCC(c2nccn2CC2CCC2)CC1
InChIInChI=1S/C20H32N4O/c1-16(20(25)23-10-2-3-11-23)22-12-7-18(8-13-22)19-21-9-14-24(19)15-17-5-4-6-17/h9,14,16-18H,2-8,10-13,15H2,1H3
InChIKeyAQINMTNMAXOEJD-UHFFFAOYSA-N
XLogP2.87
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 70765708) is 2-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one is CC(C(=O)N1CCCC1)N1CCC(c2nccn2CC2CCC2)CC1.
What is the InChIKey of 2-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is AQINMTNMAXOEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-16(20(25)23-10-2-3-11-23)22-12-7-18(8-13-22)19-21-9-14-24(19)15-17-5-4-6-17/h9,14,16-18H,2-8,10-13,15H2,1H3.
What are the key properties of 2-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
2-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 344.50 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 70765708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).