1-(1-methylpiperidin-4-yl)-4-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]piperazine

C24H35N5 — CID 74558361

IUPAC1-(1-methylpiperidin-4-yl)-4-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]piperazine
SMILESCN1CCC(N2CCN(CC3CNNC3c3cccc4ccccc34)CC2)CC1
InChIInChI=1S/C24H35N5/c1-27-11-9-21(10-12-27)29-15-13-28(14-16-29)18-20-17-25-26-24(20)23-8-4-6-19-5-2-3-7-22(19)23/h2-8,20-21,24-26H,9-18H2,1H3
InChIKeyXKDVXMUFJDCMQH-UHFFFAOYSA-N
MW393.58 g/mol
LogP2.32
Rot. Bonds4

About 1-(1-methylpiperidin-4-yl)-4-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]piperazine

1-(1-methylpiperidin-4-yl)-4-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]piperazine (PubChem CID 74558361) has the molecular formula C24H35N5 and a molecular weight of 393.58 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-4-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-4-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]piperazine
PubChem CID74558361
Molecular FormulaC24H35N5
Molecular Weight393.58 g/mol
Exact Mass393.29
IUPAC Name1-(1-methylpiperidin-4-yl)-4-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]piperazine
SMILESCN1CCC(N2CCN(CC3CNNC3c3cccc4ccccc34)CC2)CC1
InChIInChI=1S/C24H35N5/c1-27-11-9-21(10-12-27)29-15-13-28(14-16-29)18-20-17-25-26-24(20)23-8-4-6-19-5-2-3-7-22(19)23/h2-8,20-21,24-26H,9-18H2,1H3
InChIKeyXKDVXMUFJDCMQH-UHFFFAOYSA-N
XLogP2.32
TPSA33.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.58
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-[[10-[[(1-ethylpiperidin-3-yl)amino]methyl]anthracen-9-yl]methyl]piperidin-3-amine
CID 360269
US11352339, Example 18
CID 165112446
9-Amino-9-deoxy-epi-cinchonine
CID 129868762
1-[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-[(3-phenylpyrazolidin-4-yl)methyl]methanamine
CID 74556431
N-{[3-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl}-N-[(1'-methyl-1,4'-bipiperidin-4-yl)methyl]ethanamine
CID 74556928
4-[4-(3-Fluorophenyl)pyrazolidin-3-yl]-1-[(3-methylphenyl)methyl]piperidine
CID 74567998
1-(2,3-dihydro-1H-inden-2-yl)-N-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-N-methylpiperidin-3-amine
CID 74583705
N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylethanamine
CID 74610544
1-(4-fluorobenzyl)-4-[5-(1-naphthyl)-1H-pyrazol-3-yl]piperidine
CID 74697114
1-(2-fluorobenzyl)-4-[5-(1-naphthyl)-1H-pyrazol-3-yl]piperidine
CID 74697119
4-[4-(3-Fluorophenyl)pyrazolidin-3-yl]-1-[(2-methylphenyl)methyl]piperidine
CID 74780915
3-[4-(3-Fluorophenyl)pyrazolidin-3-yl]-1-[(3-methylphenyl)methyl]piperidine
CID 74802591

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-4-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]piperazine?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-4-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]piperazine (CID 74558361) is 1-(1-methylpiperidin-4-yl)-4-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]piperazine.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-4-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]piperazine?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-4-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]piperazine is CN1CCC(N2CCN(CC3CNNC3c3cccc4ccccc34)CC2)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-4-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]piperazine?
The InChIKey is XKDVXMUFJDCMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5/c1-27-11-9-21(10-12-27)29-15-13-28(14-16-29)18-20-17-25-26-24(20)23-8-4-6-19-5-2-3-7-22(19)23/h2-8,20-21,24-26H,9-18H2,1H3.
What are the key properties of 1-(1-methylpiperidin-4-yl)-4-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]piperazine?
1-(1-methylpiperidin-4-yl)-4-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]piperazine has a molecular weight of 393.58 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-4-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]piperazine is sourced from PubChem (CID 74558361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).