1-[4-(4-methylpiperazin-1-yl)-4-phenylpiperidin-1-yl]propan-1-one

C19H29N3O — CID 68984658

IUPAC1-[4-(4-methylpiperazin-1-yl)-4-phenylpiperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2ccccc2)(N2CCN(C)CC2)CC1
InChIInChI=1S/C19H29N3O/c1-3-18(23)21-11-9-19(10-12-21,17-7-5-4-6-8-17)22-15-13-20(2)14-16-22/h4-8H,3,9-16H2,1-2H3
InChIKeyIWRSHYMWAVFHAG-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.16
Rot. Bonds3

About 1-[4-(4-methylpiperazin-1-yl)-4-phenylpiperidin-1-yl]propan-1-one

1-[4-(4-methylpiperazin-1-yl)-4-phenylpiperidin-1-yl]propan-1-one (PubChem CID 68984658) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-[4-(4-methylpiperazin-1-yl)-4-phenylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(4-methylpiperazin-1-yl)-4-phenylpiperidin-1-yl]propan-1-one
PubChem CID68984658
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name1-[4-(4-methylpiperazin-1-yl)-4-phenylpiperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2ccccc2)(N2CCN(C)CC2)CC1
InChIInChI=1S/C19H29N3O/c1-3-18(23)21-11-9-19(10-12-21,17-7-5-4-6-8-17)22-15-13-20(2)14-16-22/h4-8H,3,9-16H2,1-2H3
InChIKeyIWRSHYMWAVFHAG-UHFFFAOYSA-N
XLogP2.16
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylpiperazin-1-yl)-4-phenylpiperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(4-methylpiperazin-1-yl)-4-phenylpiperidin-1-yl]propan-1-one (CID 68984658) is 1-[4-(4-methylpiperazin-1-yl)-4-phenylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(4-methylpiperazin-1-yl)-4-phenylpiperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(4-methylpiperazin-1-yl)-4-phenylpiperidin-1-yl]propan-1-one is CCC(=O)N1CCC(c2ccccc2)(N2CCN(C)CC2)CC1.
What is the InChIKey of 1-[4-(4-methylpiperazin-1-yl)-4-phenylpiperidin-1-yl]propan-1-one?
The InChIKey is IWRSHYMWAVFHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-3-18(23)21-11-9-19(10-12-21,17-7-5-4-6-8-17)22-15-13-20(2)14-16-22/h4-8H,3,9-16H2,1-2H3.
What are the key properties of 1-[4-(4-methylpiperazin-1-yl)-4-phenylpiperidin-1-yl]propan-1-one?
1-[4-(4-methylpiperazin-1-yl)-4-phenylpiperidin-1-yl]propan-1-one has a molecular weight of 315.46 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylpiperazin-1-yl)-4-phenylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 68984658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).