[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzoylpiperidin-4-yl)methanone

C19H27N3O2 — CID 120809229

IUPAC[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzoylpiperidin-4-yl)methanone
SMILESCC1(CN)CCN(C(=O)C2CCN(C(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C19H27N3O2/c1-19(13-20)9-12-22(14-19)18(24)16-7-10-21(11-8-16)17(23)15-5-3-2-4-6-15/h2-6,16H,7-14,20H2,1H3
InChIKeyCLHBUKHUHPFEJG-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.74
Rot. Bonds3

About [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzoylpiperidin-4-yl)methanone

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzoylpiperidin-4-yl)methanone (PubChem CID 120809229) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzoylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzoylpiperidin-4-yl)methanone
PubChem CID120809229
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzoylpiperidin-4-yl)methanone
SMILESCC1(CN)CCN(C(=O)C2CCN(C(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C19H27N3O2/c1-19(13-20)9-12-22(14-19)18(24)16-7-10-21(11-8-16)17(23)15-5-3-2-4-6-15/h2-6,16H,7-14,20H2,1H3
InChIKeyCLHBUKHUHPFEJG-UHFFFAOYSA-N
XLogP1.74
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzoylpiperidin-4-yl)methanone?
The IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzoylpiperidin-4-yl)methanone (CID 120809229) is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzoylpiperidin-4-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzoylpiperidin-4-yl)methanone?
The canonical SMILES for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzoylpiperidin-4-yl)methanone is CC1(CN)CCN(C(=O)C2CCN(C(=O)c3ccccc3)CC2)C1.
What is the InChIKey of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzoylpiperidin-4-yl)methanone?
The InChIKey is CLHBUKHUHPFEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-19(13-20)9-12-22(14-19)18(24)16-7-10-21(11-8-16)17(23)15-5-3-2-4-6-15/h2-6,16H,7-14,20H2,1H3.
What are the key properties of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzoylpiperidin-4-yl)methanone?
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzoylpiperidin-4-yl)methanone has a molecular weight of 329.44 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzoylpiperidin-4-yl)methanone is sourced from PubChem (CID 120809229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).