[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride

C19H37Cl2N3O2 — CID 119859716

IUPAC[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
SMILESCOC1(C(=O)N2CCCN(CC3CCCCC3)CC2)CCNCC1.Cl.Cl
InChIInChI=1S/C19H35N3O2.2ClH/c1-24-19(8-10-20-11-9-19)18(23)22-13-5-12-21(14-15-22)16-17-6-3-2-4-7-17;;/h17,20H,2-16H2,1H3;2*1H
InChIKeyPSAYYFZPFWCALM-UHFFFAOYSA-N
MW410.43 g/mol
LogP2.71
Rot. Bonds4

About [4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride

[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride (PubChem CID 119859716) has the molecular formula C19H37Cl2N3O2 and a molecular weight of 410.43 g/mol. Its IUPAC name is [4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
PubChem CID119859716
Molecular FormulaC19H37Cl2N3O2
Molecular Weight410.43 g/mol
Exact Mass409.23
IUPAC Name[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
SMILESCOC1(C(=O)N2CCCN(CC3CCCCC3)CC2)CCNCC1.Cl.Cl
InChIInChI=1S/C19H35N3O2.2ClH/c1-24-19(8-10-20-11-9-19)18(23)22-13-5-12-21(14-15-22)16-17-6-3-2-4-7-17;;/h17,20H,2-16H2,1H3;2*1H
InChIKeyPSAYYFZPFWCALM-UHFFFAOYSA-N
XLogP2.71
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride with MolForge

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Related Compounds

(4-methoxypiperidin-4-yl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 119894734
azepan-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 84702052
(4,4-dimethylazepan-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride
CID 119803723
(4-methoxypiperidin-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119838363
2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 119851426
1,4-diazepan-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 113265250
[4-[(dimethylamino)methyl]piperidin-1-yl]-(4-methoxypiperidin-4-yl)methanone
CID 119852056
(4-methoxypiperidin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 119675095
[4-(cyclohexylmethyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120938714
(4-methoxypiperidin-4-yl)-(4-propoxyazepan-1-yl)methanone
CID 119780028
N-(cyclohexylmethyl)-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119704445
(1-aminocyclopropyl)-[4-(cyclohexylmethyl)piperazin-1-yl]methanone
CID 119843097

Frequently Asked Questions

What is the IUPAC name of [4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride?
The IUPAC name of [4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride (CID 119859716) is [4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride.
What is the SMILES notation for [4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride?
The canonical SMILES for [4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride is COC1(C(=O)N2CCCN(CC3CCCCC3)CC2)CCNCC1.Cl.Cl.
What is the InChIKey of [4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride?
The InChIKey is PSAYYFZPFWCALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O2.2ClH/c1-24-19(8-10-20-11-9-19)18(23)22-13-5-12-21(14-15-22)16-17-6-3-2-4-7-17;;/h17,20H,2-16H2,1H3;2*1H.
What are the key properties of [4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride?
[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride has a molecular weight of 410.43 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 119859716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).