1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-3-piperidin-3-ylpropan-1-one

C19H28ClN3O — CID 143237535

IUPAC1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-3-piperidin-3-ylpropan-1-one
SMILESCc1cc(Cl)ccc1N1CCN(C(=O)CCC2CCCNC2)CC1
InChIInChI=1S/C19H28ClN3O/c1-15-13-17(20)5-6-18(15)22-9-11-23(12-10-22)19(24)7-4-16-3-2-8-21-14-16/h5-6,13,16,21H,2-4,7-12,14H2,1H3
InChIKeyQKDJEWYCYBYZHD-UHFFFAOYSA-N
MW349.91 g/mol
LogP3.08
Rot. Bonds4

About 1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-3-piperidin-3-ylpropan-1-one

1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-3-piperidin-3-ylpropan-1-one (PubChem CID 143237535) has the molecular formula C19H28ClN3O and a molecular weight of 349.91 g/mol. Its IUPAC name is 1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-3-piperidin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-3-piperidin-3-ylpropan-1-one
PubChem CID143237535
Molecular FormulaC19H28ClN3O
Molecular Weight349.91 g/mol
Exact Mass349.19
IUPAC Name1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-3-piperidin-3-ylpropan-1-one
SMILESCc1cc(Cl)ccc1N1CCN(C(=O)CCC2CCCNC2)CC1
InChIInChI=1S/C19H28ClN3O/c1-15-13-17(20)5-6-18(15)22-9-11-23(12-10-22)19(24)7-4-16-3-2-8-21-14-16/h5-6,13,16,21H,2-4,7-12,14H2,1H3
InChIKeyQKDJEWYCYBYZHD-UHFFFAOYSA-N
XLogP3.08
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.91
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-3-piperidin-3-ylpropan-1-one?
The IUPAC name of 1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-3-piperidin-3-ylpropan-1-one (CID 143237535) is 1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-3-piperidin-3-ylpropan-1-one.
What is the SMILES notation for 1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-3-piperidin-3-ylpropan-1-one?
The canonical SMILES for 1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-3-piperidin-3-ylpropan-1-one is Cc1cc(Cl)ccc1N1CCN(C(=O)CCC2CCCNC2)CC1.
What is the InChIKey of 1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-3-piperidin-3-ylpropan-1-one?
The InChIKey is QKDJEWYCYBYZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O/c1-15-13-17(20)5-6-18(15)22-9-11-23(12-10-22)19(24)7-4-16-3-2-8-21-14-16/h5-6,13,16,21H,2-4,7-12,14H2,1H3.
What are the key properties of 1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-3-piperidin-3-ylpropan-1-one?
1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-3-piperidin-3-ylpropan-1-one has a molecular weight of 349.91 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-3-piperidin-3-ylpropan-1-one is sourced from PubChem (CID 143237535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).