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

C20H31N3O — CID 10359235

IUPAC[4-(piperidin-1-ylmethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)CC1
InChIInChI=1S/C20H31N3O/c1-17(2)22-12-14-23(15-13-22)20(24)19-8-6-18(7-9-19)16-21-10-4-3-5-11-21/h6-9,17H,3-5,10-16H2,1-2H3
InChIKeyDSNALXIKDKGHLJ-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.84
Rot. Bonds4

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

[4-(piperidin-1-ylmethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 10359235) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is [4-(piperidin-1-ylmethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(piperidin-1-ylmethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID10359235
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name[4-(piperidin-1-ylmethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)CC1
InChIInChI=1S/C20H31N3O/c1-17(2)22-12-14-23(15-13-22)20(24)19-8-6-18(7-9-19)16-21-10-4-3-5-11-21/h6-9,17H,3-5,10-16H2,1-2H3
InChIKeyDSNALXIKDKGHLJ-UHFFFAOYSA-N
XLogP2.84
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(piperidin-1-ylmethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-(piperidin-1-ylmethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 10359235) is [4-(piperidin-1-ylmethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(piperidin-1-ylmethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(piperidin-1-ylmethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)CC1.
What is the InChIKey of [4-(piperidin-1-ylmethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is DSNALXIKDKGHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-17(2)22-12-14-23(15-13-22)20(24)19-8-6-18(7-9-19)16-21-10-4-3-5-11-21/h6-9,17H,3-5,10-16H2,1-2H3.
What are the key properties of [4-(piperidin-1-ylmethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[4-(piperidin-1-ylmethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 329.49 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(piperidin-1-ylmethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 10359235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).