(2S,4R)-N-(4-tert-butylpiperidin-1-yl)-2-propyloxane-4-carboxamide

C18H34N2O2 — CID 124842219

IUPAC(2S,4R)-N-(4-tert-butylpiperidin-1-yl)-2-propyloxane-4-carboxamide
SMILESCCC[C@H]1C[C@H](C(=O)NN2CCC(C(C)(C)C)CC2)CCO1
InChIInChI=1S/C18H34N2O2/c1-5-6-16-13-14(9-12-22-16)17(21)19-20-10-7-15(8-11-20)18(2,3)4/h14-16H,5-13H2,1-4H3,(H,19,21)/t14-,16+/m1/s1
InChIKeyBWFGWXORZKGPCS-ZBFHGGJFSA-N
MW310.48 g/mol
LogP3.37
Rot. Bonds4

About (2S,4R)-N-(4-tert-butylpiperidin-1-yl)-2-propyloxane-4-carboxamide

(2S,4R)-N-(4-tert-butylpiperidin-1-yl)-2-propyloxane-4-carboxamide (PubChem CID 124842219) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is (2S,4R)-N-(4-tert-butylpiperidin-1-yl)-2-propyloxane-4-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-(4-tert-butylpiperidin-1-yl)-2-propyloxane-4-carboxamide
PubChem CID124842219
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Name(2S,4R)-N-(4-tert-butylpiperidin-1-yl)-2-propyloxane-4-carboxamide
SMILESCCC[C@H]1C[C@H](C(=O)NN2CCC(C(C)(C)C)CC2)CCO1
InChIInChI=1S/C18H34N2O2/c1-5-6-16-13-14(9-12-22-16)17(21)19-20-10-7-15(8-11-20)18(2,3)4/h14-16H,5-13H2,1-4H3,(H,19,21)/t14-,16+/m1/s1
InChIKeyBWFGWXORZKGPCS-ZBFHGGJFSA-N
XLogP3.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,4R)-N-(4-tert-butylpiperidin-1-yl)-2-propyloxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4S)-N-(4-tert-butylpiperidin-1-yl)-2-propyloxane-4-carboxamide
CID 124842218
(2S,4S)-2-propyloxane-4-carboxylic acid
CID 928523
(2S,4R)-2-propyloxane-4-carboxylic acid
CID 7076362
N-(4-hydroxybutan-2-yl)-2-propyloxane-4-carboxamide
CID 110021512
N-(5-hydroxypentan-2-yl)-2-propyloxane-4-carboxamide
CID 110021505
(2-propyloxan-4-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone
CID 110021546
2-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)oxane-4-carboxamide
CID 136521957
N-[(1S)-2-hydroxy-1-phenylethyl]-2-propyloxane-4-carboxamide
CID 110022005
2-methyl-2-[(2-propyloxan-4-yl)amino]pentanoic acid
CID 65055792
1-piperidin-1-yl-3-[(2-propyloxan-4-yl)amino]propan-1-one
CID 103991051
tert-butyl N-[2-methyl-1-[(2-propyloxan-4-yl)amino]propan-2-yl]carbamate
CID 103991365
N-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-2-propyloxane-4-carboxamide
CID 110022037

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-(4-tert-butylpiperidin-1-yl)-2-propyloxane-4-carboxamide?
The IUPAC name of (2S,4R)-N-(4-tert-butylpiperidin-1-yl)-2-propyloxane-4-carboxamide (CID 124842219) is (2S,4R)-N-(4-tert-butylpiperidin-1-yl)-2-propyloxane-4-carboxamide.
What is the SMILES notation for (2S,4R)-N-(4-tert-butylpiperidin-1-yl)-2-propyloxane-4-carboxamide?
The canonical SMILES for (2S,4R)-N-(4-tert-butylpiperidin-1-yl)-2-propyloxane-4-carboxamide is CCC[C@H]1C[C@H](C(=O)NN2CCC(C(C)(C)C)CC2)CCO1.
What is the InChIKey of (2S,4R)-N-(4-tert-butylpiperidin-1-yl)-2-propyloxane-4-carboxamide?
The InChIKey is BWFGWXORZKGPCS-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-5-6-16-13-14(9-12-22-16)17(21)19-20-10-7-15(8-11-20)18(2,3)4/h14-16H,5-13H2,1-4H3,(H,19,21)/t14-,16+/m1/s1.
What are the key properties of (2S,4R)-N-(4-tert-butylpiperidin-1-yl)-2-propyloxane-4-carboxamide?
(2S,4R)-N-(4-tert-butylpiperidin-1-yl)-2-propyloxane-4-carboxamide has a molecular weight of 310.48 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-(4-tert-butylpiperidin-1-yl)-2-propyloxane-4-carboxamide is sourced from PubChem (CID 124842219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).