1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone

C23H32ClN5O — CID 90495503

IUPAC1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCc1cc(C)n(CC2CCN(CC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)n1
InChIInChI=1S/C23H32ClN5O/c1-18-15-19(2)29(25-18)16-20-7-9-26(10-8-20)17-23(30)28-13-11-27(12-14-28)22-5-3-21(24)4-6-22/h3-6,15,20H,7-14,16-17H2,1-2H3
InChIKeyMJXIVJZPCONKBJ-UHFFFAOYSA-N
MW430.00 g/mol
LogP3.21
Rot. Bonds5

About 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone

1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 90495503) has the molecular formula C23H32ClN5O and a molecular weight of 430.00 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
PubChem CID90495503
Molecular FormulaC23H32ClN5O
Molecular Weight430.00 g/mol
Exact Mass429.23
IUPAC Name1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCc1cc(C)n(CC2CCN(CC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)n1
InChIInChI=1S/C23H32ClN5O/c1-18-15-19(2)29(25-18)16-20-7-9-26(10-8-20)17-23(30)28-13-11-27(12-14-28)22-5-3-21(24)4-6-22/h3-6,15,20H,7-14,16-17H2,1-2H3
InChIKeyMJXIVJZPCONKBJ-UHFFFAOYSA-N
XLogP3.21
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.00
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90494024
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 90495308
1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 122195196
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 27009750
N-(3-chloro-4-fluorophenyl)-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90495502
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 142843300
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone
CID 71793810
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)ethanone
CID 20951632
N-cyclopropyl-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90495505
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 46339583
ethyl 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate
CID 46056192
1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 90494958

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone (CID 90495503) is 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone is Cc1cc(C)n(CC2CCN(CC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)n1.
What is the InChIKey of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is MJXIVJZPCONKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClN5O/c1-18-15-19(2)29(25-18)16-20-7-9-26(10-8-20)17-23(30)28-13-11-27(12-14-28)22-5-3-21(24)4-6-22/h3-6,15,20H,7-14,16-17H2,1-2H3.
What are the key properties of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone?
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 430.00 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 90495503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).