N-[[1-(2-butan-2-yloxyethyl)piperidin-4-yl]methyl]-1-propan-2-ylcyclopropane-1-carboxamide

C19H36N2O2 — CID 156820532

IUPACN-[[1-(2-butan-2-yloxyethyl)piperidin-4-yl]methyl]-1-propan-2-ylcyclopropane-1-carboxamide
SMILESCCC(C)OCCN1CCC(CNC(=O)C2(C(C)C)CC2)CC1
InChIInChI=1S/C19H36N2O2/c1-5-16(4)23-13-12-21-10-6-17(7-11-21)14-20-18(22)19(8-9-19)15(2)3/h15-17H,5-14H2,1-4H3,(H,20,22)
InChIKeyGDBWFVMITKVJLN-UHFFFAOYSA-N
MW324.51 g/mol
LogP3.07
Rot. Bonds9

About N-[[1-(2-butan-2-yloxyethyl)piperidin-4-yl]methyl]-1-propan-2-ylcyclopropane-1-carboxamide

N-[[1-(2-butan-2-yloxyethyl)piperidin-4-yl]methyl]-1-propan-2-ylcyclopropane-1-carboxamide (PubChem CID 156820532) has the molecular formula C19H36N2O2 and a molecular weight of 324.51 g/mol. Its IUPAC name is N-[[1-(2-butan-2-yloxyethyl)piperidin-4-yl]methyl]-1-propan-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-butan-2-yloxyethyl)piperidin-4-yl]methyl]-1-propan-2-ylcyclopropane-1-carboxamide
PubChem CID156820532
Molecular FormulaC19H36N2O2
Molecular Weight324.51 g/mol
Exact Mass324.28
IUPAC NameN-[[1-(2-butan-2-yloxyethyl)piperidin-4-yl]methyl]-1-propan-2-ylcyclopropane-1-carboxamide
SMILESCCC(C)OCCN1CCC(CNC(=O)C2(C(C)C)CC2)CC1
InChIInChI=1S/C19H36N2O2/c1-5-16(4)23-13-12-21-10-6-17(7-11-21)14-20-18(22)19(8-9-19)15(2)3/h15-17H,5-14H2,1-4H3,(H,20,22)
InChIKeyGDBWFVMITKVJLN-UHFFFAOYSA-N
XLogP3.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(2-butan-2-yloxyethyl)piperidin-4-yl]methyl]-1-propan-2-ylcyclopropane-1-carboxamide with MolForge

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Related Compounds

N-[(1-methylpiperidin-4-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980499
N-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methyl]propan-1-amine
CID 62592739
(2R)-2-amino-N-[(1-propylpiperidin-4-yl)methyl]propanamide
CID 119861450
N-(2-butan-2-yloxyethyl)-2-[4-(2-methylpropyl)piperidin-1-yl]acetamide;molecular hydrogen
CID 177061909
1-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 65465788
(2S)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-propan-2-ylsulfonylpropanamide
CID 97085507
1-(hydroxymethyl)-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 115182298
1-[(1-methylpiperidin-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 55035174
N-[2-[2-(4-aminopiperidin-1-yl)ethoxy]ethyl]-2-methylbutanamide;ethane;molecular hydrogen
CID 171539223
2-(cyclopropylmethylamino)-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]acetamide
CID 119898185
N-[[1-(2-piperazin-1-ylethyl)piperidin-4-yl]methyl]acetamide
CID 102736381
1-[4-(2-pentan-2-yloxyethyl)piperazin-1-yl]ethanone
CID 129082774

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-butan-2-yloxyethyl)piperidin-4-yl]methyl]-1-propan-2-ylcyclopropane-1-carboxamide?
The IUPAC name of N-[[1-(2-butan-2-yloxyethyl)piperidin-4-yl]methyl]-1-propan-2-ylcyclopropane-1-carboxamide (CID 156820532) is N-[[1-(2-butan-2-yloxyethyl)piperidin-4-yl]methyl]-1-propan-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[[1-(2-butan-2-yloxyethyl)piperidin-4-yl]methyl]-1-propan-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-[[1-(2-butan-2-yloxyethyl)piperidin-4-yl]methyl]-1-propan-2-ylcyclopropane-1-carboxamide is CCC(C)OCCN1CCC(CNC(=O)C2(C(C)C)CC2)CC1.
What is the InChIKey of N-[[1-(2-butan-2-yloxyethyl)piperidin-4-yl]methyl]-1-propan-2-ylcyclopropane-1-carboxamide?
The InChIKey is GDBWFVMITKVJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O2/c1-5-16(4)23-13-12-21-10-6-17(7-11-21)14-20-18(22)19(8-9-19)15(2)3/h15-17H,5-14H2,1-4H3,(H,20,22).
What are the key properties of N-[[1-(2-butan-2-yloxyethyl)piperidin-4-yl]methyl]-1-propan-2-ylcyclopropane-1-carboxamide?
N-[[1-(2-butan-2-yloxyethyl)piperidin-4-yl]methyl]-1-propan-2-ylcyclopropane-1-carboxamide has a molecular weight of 324.51 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-butan-2-yloxyethyl)piperidin-4-yl]methyl]-1-propan-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 156820532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).