N-ethyl-4-[[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]piperidine-1-carboxamide

C19H33N5O3 — CID 129340387

IUPACN-ethyl-4-[[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(N[C@H](c2nc(C(C)C)no2)C2CCOCC2)CC1
InChIInChI=1S/C19H33N5O3/c1-4-20-19(25)24-9-5-15(6-10-24)21-16(14-7-11-26-12-8-14)18-22-17(13(2)3)23-27-18/h13-16,21H,4-12H2,1-3H3,(H,20,25)/t16-/m0/s1
InChIKeyXGGNXVHYIYBPJM-INIZCTEOSA-N
MW379.51 g/mol
LogP2.44
Rot. Bonds6

About N-ethyl-4-[[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]piperidine-1-carboxamide

N-ethyl-4-[[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]piperidine-1-carboxamide (PubChem CID 129340387) has the molecular formula C19H33N5O3 and a molecular weight of 379.51 g/mol. Its IUPAC name is N-ethyl-4-[[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]piperidine-1-carboxamide
PubChem CID129340387
Molecular FormulaC19H33N5O3
Molecular Weight379.51 g/mol
Exact Mass379.26
IUPAC NameN-ethyl-4-[[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(N[C@H](c2nc(C(C)C)no2)C2CCOCC2)CC1
InChIInChI=1S/C19H33N5O3/c1-4-20-19(25)24-9-5-15(6-10-24)21-16(14-7-11-26-12-8-14)18-22-17(13(2)3)23-27-18/h13-16,21H,4-12H2,1-3H3,(H,20,25)/t16-/m0/s1
InChIKeyXGGNXVHYIYBPJM-INIZCTEOSA-N
XLogP2.44
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]piperidine-1-carboxamide?
The IUPAC name of N-ethyl-4-[[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]piperidine-1-carboxamide (CID 129340387) is N-ethyl-4-[[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]piperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-[[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]piperidine-1-carboxamide?
The canonical SMILES for N-ethyl-4-[[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]piperidine-1-carboxamide is CCNC(=O)N1CCC(N[C@H](c2nc(C(C)C)no2)C2CCOCC2)CC1.
What is the InChIKey of N-ethyl-4-[[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]piperidine-1-carboxamide?
The InChIKey is XGGNXVHYIYBPJM-INIZCTEOSA-N. The full InChI is InChI=1S/C19H33N5O3/c1-4-20-19(25)24-9-5-15(6-10-24)21-16(14-7-11-26-12-8-14)18-22-17(13(2)3)23-27-18/h13-16,21H,4-12H2,1-3H3,(H,20,25)/t16-/m0/s1.
What are the key properties of N-ethyl-4-[[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]piperidine-1-carboxamide?
N-ethyl-4-[[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]piperidine-1-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]piperidine-1-carboxamide is sourced from PubChem (CID 129340387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).