1-(2-methoxyphenyl)-4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine

C24H37N5O — CID 45217219

IUPAC1-(2-methoxyphenyl)-4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine
SMILESCCCn1cc(CN2CCCC(N3CCN(c4ccccc4OC)CC3)C2)c(C)n1
InChIInChI=1S/C24H37N5O/c1-4-11-29-18-21(20(2)25-29)17-26-12-7-8-22(19-26)27-13-15-28(16-14-27)23-9-5-6-10-24(23)30-3/h5-6,9-10,18,22H,4,7-8,11-17,19H2,1-3H3
InChIKeyQKPRTRSBJFHTIM-UHFFFAOYSA-N
MW411.59 g/mol
LogP3.40
Rot. Bonds7

About 1-(2-methoxyphenyl)-4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine

1-(2-methoxyphenyl)-4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine (PubChem CID 45217219) has the molecular formula C24H37N5O and a molecular weight of 411.59 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine
PubChem CID45217219
Molecular FormulaC24H37N5O
Molecular Weight411.59 g/mol
Exact Mass411.30
IUPAC Name1-(2-methoxyphenyl)-4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine
SMILESCCCn1cc(CN2CCCC(N3CCN(c4ccccc4OC)CC3)C2)c(C)n1
InChIInChI=1S/C24H37N5O/c1-4-11-29-18-21(20(2)25-29)17-26-12-7-8-22(19-26)27-13-15-28(16-14-27)23-9-5-6-10-24(23)30-3/h5-6,9-10,18,22H,4,7-8,11-17,19H2,1-3H3
InChIKeyQKPRTRSBJFHTIM-UHFFFAOYSA-N
XLogP3.40
TPSA36.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.59
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxyphenyl)-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine
CID 45216724
1-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 45215133
1-(2-methoxyphenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]piperazine
CID 45237596
1-(2-methoxyphenyl)-4-[1-(2-methylpropyl)piperidin-3-yl]piperazine
CID 45207866
1-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 28685153
1-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 29021888
1-[(3R)-1-but-3-enylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 95709049
1-(2-methoxyphenyl)-4-[(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]piperazine
CID 28955712
2-[[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-3-methyl-1H-indole
CID 29219340
1-[(3R)-1-cyclobutylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 92709243
3-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2,2-dimethylpropan-1-ol
CID 51636421
1-(2-methoxyphenyl)-4-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]piperazine
CID 45201347

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine (CID 45217219) is 1-(2-methoxyphenyl)-4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine is CCCn1cc(CN2CCCC(N3CCN(c4ccccc4OC)CC3)C2)c(C)n1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine?
The InChIKey is QKPRTRSBJFHTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N5O/c1-4-11-29-18-21(20(2)25-29)17-26-12-7-8-22(19-26)27-13-15-28(16-14-27)23-9-5-6-10-24(23)30-3/h5-6,9-10,18,22H,4,7-8,11-17,19H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine?
1-(2-methoxyphenyl)-4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine has a molecular weight of 411.59 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine is sourced from PubChem (CID 45217219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).