(1-aminocyclohexyl)-[3-(azepan-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride

C19H37Cl2N3O — CID 119875759

IUPAC(1-aminocyclohexyl)-[3-(azepan-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.NC1(C(=O)N2CCCC(CN3CCCCCC3)C2)CCCCC1
InChIInChI=1S/C19H35N3O.2ClH/c20-19(10-4-3-5-11-19)18(23)22-14-8-9-17(16-22)15-21-12-6-1-2-7-13-21;;/h17H,1-16,20H2;2*1H
InChIKeyQTMILPWVKRHUKZ-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.61
Rot. Bonds3

About (1-aminocyclohexyl)-[3-(azepan-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride

(1-aminocyclohexyl)-[3-(azepan-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride (PubChem CID 119875759) has the molecular formula C19H37Cl2N3O and a molecular weight of 394.43 g/mol. Its IUPAC name is (1-aminocyclohexyl)-[3-(azepan-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(1-aminocyclohexyl)-[3-(azepan-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
PubChem CID119875759
Molecular FormulaC19H37Cl2N3O
Molecular Weight394.43 g/mol
Exact Mass393.23
IUPAC Name(1-aminocyclohexyl)-[3-(azepan-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.NC1(C(=O)N2CCCC(CN3CCCCCC3)C2)CCCCC1
InChIInChI=1S/C19H35N3O.2ClH/c20-19(10-4-3-5-11-19)18(23)22-14-8-9-17(16-22)15-21-12-6-1-2-7-13-21;;/h17H,1-16,20H2;2*1H
InChIKeyQTMILPWVKRHUKZ-UHFFFAOYSA-N
XLogP3.61
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 119867647
N-[[1-(1-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]acetamide
CID 119301801
(1-aminocyclopropyl)-[4-(cyclohexylmethyl)piperazin-1-yl]methanone
CID 119843097
(1-aminocyclohexyl)-(4-ethylazepan-1-yl)methanone;hydrochloride
CID 119329946
(1-aminocyclobutyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106586736
2-[1-(1-aminocyclopropanecarbonyl)piperidin-3-yl]acetic acid
CID 65466458
(1-aminocyclopentyl)-(azepan-1-yl)methanone
CID 60867017
(1-aminocyclopropyl)-[3-(2-methylpropyl)piperidin-1-yl]methanone
CID 119807799
(3-aminocyclohexyl)-[3-(azepan-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119875727
2-[4-(1-aminocyclohexanecarbonyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone;dihydrochloride
CID 119844150
2-(azepan-1-yl)-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 131914309
N-[1-(1-aminocyclohexanecarbonyl)piperidin-3-yl]acetamide;hydrochloride
CID 119288778

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclohexyl)-[3-(azepan-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride?
The IUPAC name of (1-aminocyclohexyl)-[3-(azepan-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride (CID 119875759) is (1-aminocyclohexyl)-[3-(azepan-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (1-aminocyclohexyl)-[3-(azepan-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (1-aminocyclohexyl)-[3-(azepan-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride is Cl.Cl.NC1(C(=O)N2CCCC(CN3CCCCCC3)C2)CCCCC1.
What is the InChIKey of (1-aminocyclohexyl)-[3-(azepan-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride?
The InChIKey is QTMILPWVKRHUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O.2ClH/c20-19(10-4-3-5-11-19)18(23)22-14-8-9-17(16-22)15-21-12-6-1-2-7-13-21;;/h17H,1-16,20H2;2*1H.
What are the key properties of (1-aminocyclohexyl)-[3-(azepan-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride?
(1-aminocyclohexyl)-[3-(azepan-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride has a molecular weight of 394.43 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclohexyl)-[3-(azepan-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119875759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).