1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

C24H34FN5O — CID 24794101

IUPAC1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
SMILESCc1nn(C)c(C)c1CCC(=O)N1CCCC(N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C24H34FN5O/c1-18-23(19(2)27(3)26-18)10-11-24(31)30-12-4-5-22(17-30)29-15-13-28(14-16-29)21-8-6-20(25)7-9-21/h6-9,22H,4-5,10-17H2,1-3H3
InChIKeyYABZEWCYGYNPJJ-UHFFFAOYSA-N
MW427.57 g/mol
LogP2.92
Rot. Bonds5

About 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one (PubChem CID 24794101) has the molecular formula C24H34FN5O and a molecular weight of 427.57 g/mol. Its IUPAC name is 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
PubChem CID24794101
Molecular FormulaC24H34FN5O
Molecular Weight427.57 g/mol
Exact Mass427.27
IUPAC Name1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
SMILESCc1nn(C)c(C)c1CCC(=O)N1CCCC(N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C24H34FN5O/c1-18-23(19(2)27(3)26-18)10-11-24(31)30-12-4-5-22(17-30)29-15-13-28(14-16-29)21-8-6-20(25)7-9-21/h6-9,22H,4-5,10-17H2,1-3H3
InChIKeyYABZEWCYGYNPJJ-UHFFFAOYSA-N
XLogP2.92
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-amino-4-(2,5-difluorophenyl)-1-[1-methyl-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl]butan-1-one
CID 23645933
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-methyl-3-(trifluoromethyl)-2H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl]butan-1-one
CID 23645935
N-(4-fluorophenyl)-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinamine
CID 24819297
3-Ethyl-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 23102
1-Cyclopentyl-3-ethyl-6-phenyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 10828701
2-[4-(1,5-Dimethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 24812461
[5-[2-(4-fluorophenyl)ethyl]-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-piperidin-1-ylmethanone
CID 146641758
3-{3,5-Dimethyl-1-[6-(pyrrolidin-1-YL)pyridazin-3-YL]-1H-pyrazol-4-YL}-1-[4-(2-fluorophenyl)piperazin-1-YL]propan-1-one
CID 16026863
N-(2-fluorobenzyl)-3-{1-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}propanamide
CID 16190843
5-ethyl-N-[1-(2-fluorobenzyl)-3-piperidyl]-2-methyl-pyrazole-3-carboxamide
CID 24790764
1-(2-fluorophenyl)-4-{1-[(3-methyl-1H-pyrazol-1-yl)acetyl]-3-piperidinyl}piperazine
CID 24791424
1-{1-[(3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-3-piperidinyl}-4-[3-(trifluoromethyl)phenyl]piperazine
CID 24791460

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The IUPAC name of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one (CID 24794101) is 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one is Cc1nn(C)c(C)c1CCC(=O)N1CCCC(N2CCN(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The InChIKey is YABZEWCYGYNPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FN5O/c1-18-23(19(2)27(3)26-18)10-11-24(31)30-12-4-5-22(17-30)29-15-13-28(14-16-29)21-8-6-20(25)7-9-21/h6-9,22H,4-5,10-17H2,1-3H3.
What are the key properties of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one has a molecular weight of 427.57 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 24794101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).