[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride

C17H31Cl2N5O2 — CID 120941320

IUPAC[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
SMILESCOCCN1CCN(C(=O)C2(n3cccn3)CCNCC2)CC1C.Cl.Cl
InChIInChI=1S/C17H29N5O2.2ClH/c1-15-14-21(11-10-20(15)12-13-24-2)16(23)17(4-7-18-8-5-17)22-9-3-6-19-22;;/h3,6,9,15,18H,4-5,7-8,10-14H2,1-2H3;2*1H
InChIKeyDKFHLRQAQUWXCM-UHFFFAOYSA-N
MW408.37 g/mol
LogP0.98
Rot. Bonds5

About [4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride

[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride (PubChem CID 120941320) has the molecular formula C17H31Cl2N5O2 and a molecular weight of 408.37 g/mol. Its IUPAC name is [4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
PubChem CID120941320
Molecular FormulaC17H31Cl2N5O2
Molecular Weight408.37 g/mol
Exact Mass407.19
IUPAC Name[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
SMILESCOCCN1CCN(C(=O)C2(n3cccn3)CCNCC2)CC1C.Cl.Cl
InChIInChI=1S/C17H29N5O2.2ClH/c1-15-14-21(11-10-20(15)12-13-24-2)16(23)17(4-7-18-8-5-17)22-9-3-6-19-22;;/h3,6,9,15,18H,4-5,7-8,10-14H2,1-2H3;2*1H
InChIKeyDKFHLRQAQUWXCM-UHFFFAOYSA-N
XLogP0.98
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.37
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120941305
[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119880307
[2-(methoxymethyl)morpholin-4-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120933760
[4-(methoxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120931342
[4-(4-methylcyclohexyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120941863
[3-(diethylamino)pyrrolidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120938728
(2-ethylthiomorpholin-4-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120933581
[3-(dimethylamino)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120940910
N,N-diethyl-4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-carboxamide;hydrochloride
CID 120923593
N-[1-(2-methoxyethyl)piperidin-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120939906
(4-ethyl-4-methylpiperidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120930116
morpholin-4-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120917128

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride?
The IUPAC name of [4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride (CID 120941320) is [4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride.
What is the SMILES notation for [4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride?
The canonical SMILES for [4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride is COCCN1CCN(C(=O)C2(n3cccn3)CCNCC2)CC1C.Cl.Cl.
What is the InChIKey of [4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride?
The InChIKey is DKFHLRQAQUWXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2.2ClH/c1-15-14-21(11-10-20(15)12-13-24-2)16(23)17(4-7-18-8-5-17)22-9-3-6-19-22;;/h3,6,9,15,18H,4-5,7-8,10-14H2,1-2H3;2*1H.
What are the key properties of [4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride?
[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride has a molecular weight of 408.37 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 120941320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).