N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride

C18H37Cl2N3O2 — CID 120645153

IUPACN-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
SMILESCOCC1(C(=O)NCC2(N(C)C)CCCC(C)C2)CCNCC1.Cl.Cl
InChIInChI=1S/C18H35N3O2.2ClH/c1-15-6-5-7-18(12-15,21(2)3)13-20-16(22)17(14-23-4)8-10-19-11-9-17;;/h15,19H,5-14H2,1-4H3,(H,20,22);2*1H
InChIKeyNBUODVMEQSRGJT-UHFFFAOYSA-N
MW398.42 g/mol
LogP2.47
Rot. Bonds6

About N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride

N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride (PubChem CID 120645153) has the molecular formula C18H37Cl2N3O2 and a molecular weight of 398.42 g/mol. Its IUPAC name is N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
PubChem CID120645153
Molecular FormulaC18H37Cl2N3O2
Molecular Weight398.42 g/mol
Exact Mass397.23
IUPAC NameN-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
SMILESCOCC1(C(=O)NCC2(N(C)C)CCCC(C)C2)CCNCC1.Cl.Cl
InChIInChI=1S/C18H35N3O2.2ClH/c1-15-6-5-7-18(12-15,21(2)3)13-20-16(22)17(14-23-4)8-10-19-11-9-17;;/h15,19H,5-14H2,1-4H3,(H,20,22);2*1H
InChIKeyNBUODVMEQSRGJT-UHFFFAOYSA-N
XLogP2.47
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]cyclopropane-1-carboxamide
CID 115453085
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpiperidine-3-carboxamide;dihydrochloride
CID 119946772
N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616337
(2R)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pyrrolidine-2-carboxamide
CID 103814097
2-(tert-butylamino)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]acetamide
CID 78986830
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide;dihydrochloride
CID 119861051
2-amino-N-[2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-2-oxoethyl]acetamide
CID 61211937
3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]butanamide
CID 61210809
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpentanamide
CID 61211375
1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-(1-hydroxybutan-2-yl)urea
CID 110902752
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methoxypentanamide
CID 81071607
N-[[1-(dimethylamino)cyclopentyl]methyl]-4-propylpiperidine-4-carboxamide
CID 83112493

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride (CID 120645153) is N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride is COCC1(C(=O)NCC2(N(C)C)CCCC(C)C2)CCNCC1.Cl.Cl.
What is the InChIKey of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride?
The InChIKey is NBUODVMEQSRGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2.2ClH/c1-15-6-5-7-18(12-15,21(2)3)13-20-16(22)17(14-23-4)8-10-19-11-9-17;;/h15,19H,5-14H2,1-4H3,(H,20,22);2*1H.
What are the key properties of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride?
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride has a molecular weight of 398.42 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120645153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).