N-(1-aminopropan-2-yl)-1-(1,3-benzoxazol-2-yl)-N-methylpiperidine-4-carboxamide;dihydrochloride

C17H26Cl2N4O2 — CID 119584379

IUPACN-(1-aminopropan-2-yl)-1-(1,3-benzoxazol-2-yl)-N-methylpiperidine-4-carboxamide;dihydrochloride
SMILESCC(CN)N(C)C(=O)C1CCN(c2nc3ccccc3o2)CC1.Cl.Cl
InChIInChI=1S/C17H24N4O2.2ClH/c1-12(11-18)20(2)16(22)13-7-9-21(10-8-13)17-19-14-5-3-4-6-15(14)23-17;;/h3-6,12-13H,7-11,18H2,1-2H3;2*1H
InChIKeyVMHCJQWRYPMNJM-UHFFFAOYSA-N
MW389.33 g/mol
LogP2.69
Rot. Bonds4

About N-(1-aminopropan-2-yl)-1-(1,3-benzoxazol-2-yl)-N-methylpiperidine-4-carboxamide;dihydrochloride

N-(1-aminopropan-2-yl)-1-(1,3-benzoxazol-2-yl)-N-methylpiperidine-4-carboxamide;dihydrochloride (PubChem CID 119584379) has the molecular formula C17H26Cl2N4O2 and a molecular weight of 389.33 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-1-(1,3-benzoxazol-2-yl)-N-methylpiperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-1-(1,3-benzoxazol-2-yl)-N-methylpiperidine-4-carboxamide;dihydrochloride
PubChem CID119584379
Molecular FormulaC17H26Cl2N4O2
Molecular Weight389.33 g/mol
Exact Mass388.14
IUPAC NameN-(1-aminopropan-2-yl)-1-(1,3-benzoxazol-2-yl)-N-methylpiperidine-4-carboxamide;dihydrochloride
SMILESCC(CN)N(C)C(=O)C1CCN(c2nc3ccccc3o2)CC1.Cl.Cl
InChIInChI=1S/C17H24N4O2.2ClH/c1-12(11-18)20(2)16(22)13-7-9-21(10-8-13)17-19-14-5-3-4-6-15(14)23-17;;/h3-6,12-13H,7-11,18H2,1-2H3;2*1H
InChIKeyVMHCJQWRYPMNJM-UHFFFAOYSA-N
XLogP2.69
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-aminopropan-2-yl)-1-(1,3-benzoxazol-2-yl)-N-methylpiperidine-4-carboxamide;dihydrochloride with MolForge

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide;dihydrochloride
CID 119588066
3-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]-ethylamino]propanoic acid
CID 119190939
1-(1,3-benzoxazol-2-yl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 17456772
1-(1,3-benzoxazol-2-yl)-N-butyl-N-phenylpiperidine-4-carboxamide
CID 24584534
1-(1,3-benzoxazol-2-yl)-N-[(1R)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 26009021
1-(1,3-benzoxazol-2-yl)-N-(1-cyclopropylethyl)piperidine-4-carboxamide
CID 134012022
[4-(aminomethyl)piperidin-1-yl]-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methanone;dihydrochloride
CID 119423816
1-(1,3-benzoxazol-2-yl)-N-methyl-N-[(1S,2S)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 34581496
N-(2-amino-1-cyclohexylethyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 119591481
2-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-3-methylbutanoic acid
CID 119169865
(2S)-2-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-3-methylbutanoic acid
CID 119359710
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-1-(1,3-benzoxazol-2-yl)-N-methylpiperidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-1-(1,3-benzoxazol-2-yl)-N-methylpiperidine-4-carboxamide;dihydrochloride (CID 119584379) is N-(1-aminopropan-2-yl)-1-(1,3-benzoxazol-2-yl)-N-methylpiperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-1-(1,3-benzoxazol-2-yl)-N-methylpiperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-1-(1,3-benzoxazol-2-yl)-N-methylpiperidine-4-carboxamide;dihydrochloride is CC(CN)N(C)C(=O)C1CCN(c2nc3ccccc3o2)CC1.Cl.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-1-(1,3-benzoxazol-2-yl)-N-methylpiperidine-4-carboxamide;dihydrochloride?
The InChIKey is VMHCJQWRYPMNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2.2ClH/c1-12(11-18)20(2)16(22)13-7-9-21(10-8-13)17-19-14-5-3-4-6-15(14)23-17;;/h3-6,12-13H,7-11,18H2,1-2H3;2*1H.
What are the key properties of N-(1-aminopropan-2-yl)-1-(1,3-benzoxazol-2-yl)-N-methylpiperidine-4-carboxamide;dihydrochloride?
N-(1-aminopropan-2-yl)-1-(1,3-benzoxazol-2-yl)-N-methylpiperidine-4-carboxamide;dihydrochloride has a molecular weight of 389.33 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-1-(1,3-benzoxazol-2-yl)-N-methylpiperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119584379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).