[4-(methoxymethyl)piperidin-4-yl]-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)methanone;dihydrochloride

C18H29Cl2N3O2 — CID 120646209

IUPAC[4-(methoxymethyl)piperidin-4-yl]-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)methanone;dihydrochloride
SMILESCOCC1(C(=O)N2CCN(C)c3ccccc3C2)CCNCC1.Cl.Cl
InChIInChI=1S/C18H27N3O2.2ClH/c1-20-11-12-21(13-15-5-3-4-6-16(15)20)17(22)18(14-23-2)7-9-19-10-8-18;;/h3-6,19H,7-14H2,1-2H3;2*1H
InChIKeyWYJVMYVLBXVDFD-UHFFFAOYSA-N
MW390.36 g/mol
LogP2.32
Rot. Bonds3

About [4-(methoxymethyl)piperidin-4-yl]-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)methanone;dihydrochloride

[4-(methoxymethyl)piperidin-4-yl]-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)methanone;dihydrochloride (PubChem CID 120646209) has the molecular formula C18H29Cl2N3O2 and a molecular weight of 390.36 g/mol. Its IUPAC name is [4-(methoxymethyl)piperidin-4-yl]-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(methoxymethyl)piperidin-4-yl]-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)methanone;dihydrochloride
PubChem CID120646209
Molecular FormulaC18H29Cl2N3O2
Molecular Weight390.36 g/mol
Exact Mass389.16
IUPAC Name[4-(methoxymethyl)piperidin-4-yl]-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)methanone;dihydrochloride
SMILESCOCC1(C(=O)N2CCN(C)c3ccccc3C2)CCNCC1.Cl.Cl
InChIInChI=1S/C18H27N3O2.2ClH/c1-20-11-12-21(13-15-5-3-4-6-16(15)20)17(22)18(14-23-2)7-9-19-10-8-18;;/h3-6,19H,7-14H2,1-2H3;2*1H
InChIKeyWYJVMYVLBXVDFD-UHFFFAOYSA-N
XLogP2.32
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(methoxymethyl)piperidin-4-yl]-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-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-methoxypiperidin-4-yl)-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)methanone
CID 119876960
(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120629648
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
CID 120617142
1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-4-phenylbutan-1-one;hydrochloride
CID 120629546
[4-(benzenesulfonyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
CID 120616987
[4-(methoxymethyl)piperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 120639468
[1-[4-(methoxymethyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride
CID 120619483
[4-(2-methoxyethyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120640752
1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 120617943
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;dihydrochloride
CID 120640847
2,3-dihydroindol-1-yl-[(3S)-3-(methoxymethyl)pyrrolidin-3-yl]methanone
CID 129465608
[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone;hydrochloride
CID 120620661

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)piperidin-4-yl]-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)methanone;dihydrochloride?
The IUPAC name of [4-(methoxymethyl)piperidin-4-yl]-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)methanone;dihydrochloride (CID 120646209) is [4-(methoxymethyl)piperidin-4-yl]-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)methanone;dihydrochloride.
What is the SMILES notation for [4-(methoxymethyl)piperidin-4-yl]-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)methanone;dihydrochloride?
The canonical SMILES for [4-(methoxymethyl)piperidin-4-yl]-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)methanone;dihydrochloride is COCC1(C(=O)N2CCN(C)c3ccccc3C2)CCNCC1.Cl.Cl.
What is the InChIKey of [4-(methoxymethyl)piperidin-4-yl]-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)methanone;dihydrochloride?
The InChIKey is WYJVMYVLBXVDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.2ClH/c1-20-11-12-21(13-15-5-3-4-6-16(15)20)17(22)18(14-23-2)7-9-19-10-8-18;;/h3-6,19H,7-14H2,1-2H3;2*1H.
What are the key properties of [4-(methoxymethyl)piperidin-4-yl]-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)methanone;dihydrochloride?
[4-(methoxymethyl)piperidin-4-yl]-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)methanone;dihydrochloride has a molecular weight of 390.36 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)piperidin-4-yl]-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 120646209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).