N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]morpholine-3-carboxamide;dihydrochloride

C16H33Cl2N3O2 — CID 119898858

IUPACN-[[1-(3-methylbutyl)piperidin-4-yl]methyl]morpholine-3-carboxamide;dihydrochloride
SMILESCC(C)CCN1CCC(CNC(=O)C2COCCN2)CC1.Cl.Cl
InChIInChI=1S/C16H31N3O2.2ClH/c1-13(2)3-7-19-8-4-14(5-9-19)11-18-16(20)15-12-21-10-6-17-15;;/h13-15,17H,3-12H2,1-2H3,(H,18,20);2*1H
InChIKeyPVIMKLZYSSVTGK-UHFFFAOYSA-N
MW370.37 g/mol
LogP1.69
Rot. Bonds6

About N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]morpholine-3-carboxamide;dihydrochloride

N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]morpholine-3-carboxamide;dihydrochloride (PubChem CID 119898858) has the molecular formula C16H33Cl2N3O2 and a molecular weight of 370.37 g/mol. Its IUPAC name is N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]morpholine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[[1-(3-methylbutyl)piperidin-4-yl]methyl]morpholine-3-carboxamide;dihydrochloride
PubChem CID119898858
Molecular FormulaC16H33Cl2N3O2
Molecular Weight370.37 g/mol
Exact Mass369.19
IUPAC NameN-[[1-(3-methylbutyl)piperidin-4-yl]methyl]morpholine-3-carboxamide;dihydrochloride
SMILESCC(C)CCN1CCC(CNC(=O)C2COCCN2)CC1.Cl.Cl
InChIInChI=1S/C16H31N3O2.2ClH/c1-13(2)3-7-19-8-4-14(5-9-19)11-18-16(20)15-12-21-10-6-17-15;;/h13-15,17H,3-12H2,1-2H3,(H,18,20);2*1H
InChIKeyPVIMKLZYSSVTGK-UHFFFAOYSA-N
XLogP1.69
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]morpholine-3-carboxamide
CID 119862675
N-(cyclooctylmethyl)morpholine-3-carboxamide;hydrochloride
CID 119741853
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]morpholine-3-carboxamide;dihydrochloride
CID 119862600
N-[(3-methylcyclohexyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119750252
N-[(2-propan-2-yloxan-3-yl)methyl]morpholine-3-carboxamide
CID 119819551
N-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide;dihydrochloride
CID 119850990
(3R)-N-ethylmorpholine-3-carboxamide
CID 96578732
N-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide
CID 119850991
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]morpholine-3-carboxamide
CID 119874815
N-[4-(4-benzylpiperidin-1-yl)butyl]morpholine-3-carboxamide
CID 119883692
N-[(2,2-dimethylcyclopropyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119785395
N-(2-hydroxy-3-methylpentyl)morpholine-3-carboxamide;hydrochloride
CID 119784019

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]morpholine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]morpholine-3-carboxamide;dihydrochloride (CID 119898858) is N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]morpholine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]morpholine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]morpholine-3-carboxamide;dihydrochloride is CC(C)CCN1CCC(CNC(=O)C2COCCN2)CC1.Cl.Cl.
What is the InChIKey of N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]morpholine-3-carboxamide;dihydrochloride?
The InChIKey is PVIMKLZYSSVTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2.2ClH/c1-13(2)3-7-19-8-4-14(5-9-19)11-18-16(20)15-12-21-10-6-17-15;;/h13-15,17H,3-12H2,1-2H3,(H,18,20);2*1H.
What are the key properties of N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]morpholine-3-carboxamide;dihydrochloride?
N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]morpholine-3-carboxamide;dihydrochloride has a molecular weight of 370.37 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]morpholine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119898858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).