1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one

C23H33N5O — CID 45175316

IUPAC1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
SMILESCc1ccn(CCC(=O)N2CCCC(N3CCN(c4ccccc4C)CC3)C2)n1
InChIInChI=1S/C23H33N5O/c1-19-6-3-4-8-22(19)26-16-14-25(15-17-26)21-7-5-11-27(18-21)23(29)10-13-28-12-9-20(2)24-28/h3-4,6,8-9,12,21H,5,7,10-11,13-18H2,1-2H3
InChIKeyHOJVLPVWXQGNDN-UHFFFAOYSA-N
MW395.55 g/mol
LogP2.70
Rot. Bonds5

About 1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one

1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one (PubChem CID 45175316) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is 1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
PubChem CID45175316
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC Name1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
SMILESCc1ccn(CCC(=O)N2CCCC(N3CCN(c4ccccc4C)CC3)C2)n1
InChIInChI=1S/C23H33N5O/c1-19-6-3-4-8-22(19)26-16-14-25(15-17-26)21-7-5-11-27(18-21)23(29)10-13-28-12-9-20(2)24-28/h3-4,6,8-9,12,21H,5,7,10-11,13-18H2,1-2H3
InChIKeyHOJVLPVWXQGNDN-UHFFFAOYSA-N
XLogP2.70
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one (CID 45175316) is 1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one is Cc1ccn(CCC(=O)N2CCCC(N3CCN(c4ccccc4C)CC3)C2)n1.
What is the InChIKey of 1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one?
The InChIKey is HOJVLPVWXQGNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O/c1-19-6-3-4-8-22(19)26-16-14-25(15-17-26)21-7-5-11-27(18-21)23(29)10-13-28-12-9-20(2)24-28/h3-4,6,8-9,12,21H,5,7,10-11,13-18H2,1-2H3.
What are the key properties of 1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one?
1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one has a molecular weight of 395.55 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 45175316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).