N-[1-(4-chlorophenyl)-2-methylpropyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide

C25H30ClN5O2 — CID 57401212

IUPACN-[1-(4-chlorophenyl)-2-methylpropyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
SMILESCC(C)C(NC(=O)CCN1CCC(c2nc(-c3ccccn3)no2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C25H30ClN5O2/c1-17(2)23(18-6-8-20(26)9-7-18)28-22(32)12-16-31-14-10-19(11-15-31)25-29-24(30-33-25)21-5-3-4-13-27-21/h3-9,13,17,19,23H,10-12,14-16H2,1-2H3,(H,28,32)
InChIKeyCFBPGZPEYBPNJG-UHFFFAOYSA-N
MW468.00 g/mol
LogP4.87
Rot. Bonds8

About N-[1-(4-chlorophenyl)-2-methylpropyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide

N-[1-(4-chlorophenyl)-2-methylpropyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide (PubChem CID 57401212) has the molecular formula C25H30ClN5O2 and a molecular weight of 468.00 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-methylpropyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-methylpropyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
PubChem CID57401212
Molecular FormulaC25H30ClN5O2
Molecular Weight468.00 g/mol
Exact Mass467.21
IUPAC NameN-[1-(4-chlorophenyl)-2-methylpropyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
SMILESCC(C)C(NC(=O)CCN1CCC(c2nc(-c3ccccn3)no2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C25H30ClN5O2/c1-17(2)23(18-6-8-20(26)9-7-18)28-22(32)12-16-31-14-10-19(11-15-31)25-29-24(30-33-25)21-5-3-4-13-27-21/h3-9,13,17,19,23H,10-12,14-16H2,1-2H3,(H,28,32)
InChIKeyCFBPGZPEYBPNJG-UHFFFAOYSA-N
XLogP4.87
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.00
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-methylpropyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2-methylpropyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide (CID 57401212) is N-[1-(4-chlorophenyl)-2-methylpropyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-methylpropyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-methylpropyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide is CC(C)C(NC(=O)CCN1CCC(c2nc(-c3ccccn3)no2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-methylpropyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide?
The InChIKey is CFBPGZPEYBPNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O2/c1-17(2)23(18-6-8-20(26)9-7-18)28-22(32)12-16-31-14-10-19(11-15-31)25-29-24(30-33-25)21-5-3-4-13-27-21/h3-9,13,17,19,23H,10-12,14-16H2,1-2H3,(H,28,32).
What are the key properties of N-[1-(4-chlorophenyl)-2-methylpropyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide?
N-[1-(4-chlorophenyl)-2-methylpropyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide has a molecular weight of 468.00 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-methylpropyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 57401212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).