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

C23H27N5O2 — CID 57394220

IUPACN-[(1S)-1-phenylethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
SMILESC[C@H](NC(=O)CCN1CCC(c2nc(-c3ccccn3)no2)CC1)c1ccccc1
InChIInChI=1S/C23H27N5O2/c1-17(18-7-3-2-4-8-18)25-21(29)12-16-28-14-10-19(11-15-28)23-26-22(27-30-23)20-9-5-6-13-24-20/h2-9,13,17,19H,10-12,14-16H2,1H3,(H,25,29)/t17-/m0/s1
InChIKeyOFYSUSJBNSNQTH-KRWDZBQOSA-N
MW405.50 g/mol
LogP3.58
Rot. Bonds7

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

N-[(1S)-1-phenylethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide (PubChem CID 57394220) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
PubChem CID57394220
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-[(1S)-1-phenylethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
SMILESC[C@H](NC(=O)CCN1CCC(c2nc(-c3ccccn3)no2)CC1)c1ccccc1
InChIInChI=1S/C23H27N5O2/c1-17(18-7-3-2-4-8-18)25-21(29)12-16-28-14-10-19(11-15-28)23-26-22(27-30-23)20-9-5-6-13-24-20/h2-9,13,17,19H,10-12,14-16H2,1H3,(H,25,29)/t17-/m0/s1
InChIKeyOFYSUSJBNSNQTH-KRWDZBQOSA-N
XLogP3.58
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide?
The IUPAC name of N-[(1S)-1-phenylethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide (CID 57394220) is N-[(1S)-1-phenylethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-[(1S)-1-phenylethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide?
The canonical SMILES for N-[(1S)-1-phenylethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide is C[C@H](NC(=O)CCN1CCC(c2nc(-c3ccccn3)no2)CC1)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide?
The InChIKey is OFYSUSJBNSNQTH-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-17(18-7-3-2-4-8-18)25-21(29)12-16-28-14-10-19(11-15-28)23-26-22(27-30-23)20-9-5-6-13-24-20/h2-9,13,17,19H,10-12,14-16H2,1H3,(H,25,29)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide?
N-[(1S)-1-phenylethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide has a molecular weight of 405.50 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 57394220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).