N,N-di(propan-2-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

C19H27N5O2 — CID 654334

IUPACN,N-di(propan-2-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCC(C)N(C(=O)N1CCC(c2nc(-c3ccncc3)no2)CC1)C(C)C
InChIInChI=1S/C19H27N5O2/c1-13(2)24(14(3)4)19(25)23-11-7-16(8-12-23)18-21-17(22-26-18)15-5-9-20-10-6-15/h5-6,9-10,13-14,16H,7-8,11-12H2,1-4H3
InChIKeyQDFNKVTTWPELCC-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.55
Rot. Bonds4

About N,N-di(propan-2-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

N,N-di(propan-2-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 654334) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N,N-di(propan-2-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN,N-di(propan-2-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID654334
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC NameN,N-di(propan-2-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCC(C)N(C(=O)N1CCC(c2nc(-c3ccncc3)no2)CC1)C(C)C
InChIInChI=1S/C19H27N5O2/c1-13(2)24(14(3)4)19(25)23-11-7-16(8-12-23)18-21-17(22-26-18)15-5-9-20-10-6-15/h5-6,9-10,13-14,16H,7-8,11-12H2,1-4H3
InChIKeyQDFNKVTTWPELCC-UHFFFAOYSA-N
XLogP3.55
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N,N-di(propan-2-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 654334) is N,N-di(propan-2-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N,N-di(propan-2-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N,N-di(propan-2-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is CC(C)N(C(=O)N1CCC(c2nc(-c3ccncc3)no2)CC1)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is QDFNKVTTWPELCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-13(2)24(14(3)4)19(25)23-11-7-16(8-12-23)18-21-17(22-26-18)15-5-9-20-10-6-15/h5-6,9-10,13-14,16H,7-8,11-12H2,1-4H3.
What are the key properties of N,N-di(propan-2-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
N,N-di(propan-2-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 654334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).