[4-(morpholin-4-ylmethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride

C19H33Cl2N5O2 — CID 120939296

IUPAC[4-(morpholin-4-ylmethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
SMILESCl.Cl.O=C(N1CCC(CN2CCOCC2)CC1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C19H31N5O2.2ClH/c25-18(19(4-7-20-8-5-19)24-9-1-6-21-24)23-10-2-17(3-11-23)16-22-12-14-26-15-13-22;;/h1,6,9,17,20H,2-5,7-8,10-16H2;2*1H
InChIKeyIOLGXSXYQFWIQD-UHFFFAOYSA-N
MW434.41 g/mol
LogP1.38
Rot. Bonds4

About [4-(morpholin-4-ylmethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride

[4-(morpholin-4-ylmethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride (PubChem CID 120939296) has the molecular formula C19H33Cl2N5O2 and a molecular weight of 434.41 g/mol. Its IUPAC name is [4-(morpholin-4-ylmethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(morpholin-4-ylmethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
PubChem CID120939296
Molecular FormulaC19H33Cl2N5O2
Molecular Weight434.41 g/mol
Exact Mass433.20
IUPAC Name[4-(morpholin-4-ylmethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
SMILESCl.Cl.O=C(N1CCC(CN2CCOCC2)CC1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C19H31N5O2.2ClH/c25-18(19(4-7-20-8-5-19)24-9-1-6-21-24)23-10-2-17(3-11-23)16-22-12-14-26-15-13-22;;/h1,6,9,17,20H,2-5,7-8,10-16H2;2*1H
InChIKeyIOLGXSXYQFWIQD-UHFFFAOYSA-N
XLogP1.38
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.41
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(morpholin-4-ylmethyl)piperidin-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

Frequently Asked Questions

What is the IUPAC name of [4-(morpholin-4-ylmethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride?
The IUPAC name of [4-(morpholin-4-ylmethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride (CID 120939296) is [4-(morpholin-4-ylmethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride.
What is the SMILES notation for [4-(morpholin-4-ylmethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride?
The canonical SMILES for [4-(morpholin-4-ylmethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride is Cl.Cl.O=C(N1CCC(CN2CCOCC2)CC1)C1(n2cccn2)CCNCC1.
What is the InChIKey of [4-(morpholin-4-ylmethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride?
The InChIKey is IOLGXSXYQFWIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2.2ClH/c25-18(19(4-7-20-8-5-19)24-9-1-6-21-24)23-10-2-17(3-11-23)16-22-12-14-26-15-13-22;;/h1,6,9,17,20H,2-5,7-8,10-16H2;2*1H.
What are the key properties of [4-(morpholin-4-ylmethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride?
[4-(morpholin-4-ylmethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride has a molecular weight of 434.41 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(morpholin-4-ylmethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 120939296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).