N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide

C19H25N5O3 — CID 126439651

IUPACN-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide
SMILESCC(C)c1nnc([C@@H](C)NC(=O)C2CCN(C(=O)c3ccncc3)CC2)o1
InChIInChI=1S/C19H25N5O3/c1-12(2)17-22-23-18(27-17)13(3)21-16(25)14-6-10-24(11-7-14)19(26)15-4-8-20-9-5-15/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,21,25)/t13-/m1/s1
InChIKeyVIVGFKJZYFEXKU-CYBMUJFWSA-N
MW371.44 g/mol
LogP2.32
Rot. Bonds5

About N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide

N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide (PubChem CID 126439651) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide
PubChem CID126439651
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC NameN-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide
SMILESCC(C)c1nnc([C@@H](C)NC(=O)C2CCN(C(=O)c3ccncc3)CC2)o1
InChIInChI=1S/C19H25N5O3/c1-12(2)17-22-23-18(27-17)13(3)21-16(25)14-6-10-24(11-7-14)19(26)15-4-8-20-9-5-15/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,21,25)/t13-/m1/s1
InChIKeyVIVGFKJZYFEXKU-CYBMUJFWSA-N
XLogP2.32
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide (CID 126439651) is N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide is CC(C)c1nnc([C@@H](C)NC(=O)C2CCN(C(=O)c3ccncc3)CC2)o1.
What is the InChIKey of N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide?
The InChIKey is VIVGFKJZYFEXKU-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-12(2)17-22-23-18(27-17)13(3)21-16(25)14-6-10-24(11-7-14)19(26)15-4-8-20-9-5-15/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,21,25)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide?
N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 126439651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).