(4-propan-2-ylpiperazin-1-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone

C19H29N3O — CID 10452850

IUPAC(4-propan-2-ylpiperazin-1-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
SMILESCC(C)N1CCN(C(=O)c2ccc(CN3CCCC3)cc2)CC1
InChIInChI=1S/C19H29N3O/c1-16(2)21-11-13-22(14-12-21)19(23)18-7-5-17(6-8-18)15-20-9-3-4-10-20/h5-8,16H,3-4,9-15H2,1-2H3
InChIKeyXCLROSOGLOXETK-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.45
Rot. Bonds4

About (4-propan-2-ylpiperazin-1-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone

(4-propan-2-ylpiperazin-1-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone (PubChem CID 10452850) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is (4-propan-2-ylpiperazin-1-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-propan-2-ylpiperazin-1-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
PubChem CID10452850
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name(4-propan-2-ylpiperazin-1-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
SMILESCC(C)N1CCN(C(=O)c2ccc(CN3CCCC3)cc2)CC1
InChIInChI=1S/C19H29N3O/c1-16(2)21-11-13-22(14-12-21)19(23)18-7-5-17(6-8-18)15-20-9-3-4-10-20/h5-8,16H,3-4,9-15H2,1-2H3
InChIKeyXCLROSOGLOXETK-UHFFFAOYSA-N
XLogP2.45
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylpiperazin-1-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone?
The IUPAC name of (4-propan-2-ylpiperazin-1-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone (CID 10452850) is (4-propan-2-ylpiperazin-1-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for (4-propan-2-ylpiperazin-1-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone?
The canonical SMILES for (4-propan-2-ylpiperazin-1-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone is CC(C)N1CCN(C(=O)c2ccc(CN3CCCC3)cc2)CC1.
What is the InChIKey of (4-propan-2-ylpiperazin-1-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone?
The InChIKey is XCLROSOGLOXETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-16(2)21-11-13-22(14-12-21)19(23)18-7-5-17(6-8-18)15-20-9-3-4-10-20/h5-8,16H,3-4,9-15H2,1-2H3.
What are the key properties of (4-propan-2-ylpiperazin-1-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone?
(4-propan-2-ylpiperazin-1-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone has a molecular weight of 315.46 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylpiperazin-1-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 10452850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).