(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride

C18H31Cl2N5O2 — CID 120942755

IUPAC(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
SMILESCC1CN(C(=O)C2(n3cccn3)CCNCC2)CC1N1CCOCC1.Cl.Cl
InChIInChI=1S/C18H29N5O2.2ClH/c1-15-13-22(14-16(15)21-9-11-25-12-10-21)17(24)18(3-6-19-7-4-18)23-8-2-5-20-23;;/h2,5,8,15-16,19H,3-4,6-7,9-14H2,1H3;2*1H
InChIKeySKUPGMGODMXZAV-UHFFFAOYSA-N
MW420.39 g/mol
LogP0.98
Rot. Bonds3

About (3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride

(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride (PubChem CID 120942755) has the molecular formula C18H31Cl2N5O2 and a molecular weight of 420.39 g/mol. Its IUPAC name is (3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
PubChem CID120942755
Molecular FormulaC18H31Cl2N5O2
Molecular Weight420.39 g/mol
Exact Mass419.19
IUPAC Name(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
SMILESCC1CN(C(=O)C2(n3cccn3)CCNCC2)CC1N1CCOCC1.Cl.Cl
InChIInChI=1S/C18H29N5O2.2ClH/c1-15-13-22(14-16(15)21-9-11-25-12-10-21)17(24)18(3-6-19-7-4-18)23-8-2-5-20-23;;/h2,5,8,15-16,19H,3-4,6-7,9-14H2,1H3;2*1H
InChIKeySKUPGMGODMXZAV-UHFFFAOYSA-N
XLogP0.98
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.39
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3-methyl-4-morpholin-4-ylpyrrolidin-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

morpholin-4-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120917128
(4-methoxypiperidin-4-yl)-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 119899611
[4-(morpholin-4-ylmethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120939296
8-oxa-2-azaspiro[4.5]decan-2-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120936794
[4-(4-methylcyclohexyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120941863
[2-(methoxymethyl)morpholin-4-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120933760
[3-(dimethylamino)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120940910
[3-(diethylamino)pyrrolidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120938728
(4-ethyl-4-methylpiperidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120930116
(4-cyclopentyl-1,4-diazepan-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120940660
(4-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 120918557
[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120941320

Frequently Asked Questions

What is the IUPAC name of (3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride?
The IUPAC name of (3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride (CID 120942755) is (3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride.
What is the SMILES notation for (3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride?
The canonical SMILES for (3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride is CC1CN(C(=O)C2(n3cccn3)CCNCC2)CC1N1CCOCC1.Cl.Cl.
What is the InChIKey of (3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride?
The InChIKey is SKUPGMGODMXZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2.2ClH/c1-15-13-22(14-16(15)21-9-11-25-12-10-21)17(24)18(3-6-19-7-4-18)23-8-2-5-20-23;;/h2,5,8,15-16,19H,3-4,6-7,9-14H2,1H3;2*1H.
What are the key properties of (3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride?
(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride has a molecular weight of 420.39 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 120942755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).