[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone

C19H31N5O — CID 72915945

IUPAC[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)N2CCCC(c3nccn3CC3CCC3)C2)CC1
InChIInChI=1S/C19H31N5O/c1-21-10-12-22(13-11-21)19(25)24-8-3-6-17(15-24)18-20-7-9-23(18)14-16-4-2-5-16/h7,9,16-17H,2-6,8,10-15H2,1H3
InChIKeyKFIPLKUNTYPBGX-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.23
Rot. Bonds3

About [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone

[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 72915945) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID72915945
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)N2CCCC(c3nccn3CC3CCC3)C2)CC1
InChIInChI=1S/C19H31N5O/c1-21-10-12-22(13-11-21)19(25)24-8-3-6-17(15-24)18-20-7-9-23(18)14-16-4-2-5-16/h7,9,16-17H,2-6,8,10-15H2,1H3
InChIKeyKFIPLKUNTYPBGX-UHFFFAOYSA-N
XLogP2.23
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone (CID 72915945) is [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)N2CCCC(c3nccn3CC3CCC3)C2)CC1.
What is the InChIKey of [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is KFIPLKUNTYPBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-21-10-12-22(13-11-21)19(25)24-8-3-6-17(15-24)18-20-7-9-23(18)14-16-4-2-5-16/h7,9,16-17H,2-6,8,10-15H2,1H3.
What are the key properties of [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 345.49 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 72915945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).