N-[(1S)-1-phenylethyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-4-carboxamide

C27H27N5O2 — CID 93071770

IUPACN-[(1S)-1-phenylethyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-4-carboxamide
SMILESC[C@H](NC(=O)C1CCN(c2ncccc2-c2nc(-c3ccccc3)no2)CC1)c1ccccc1
InChIInChI=1S/C27H27N5O2/c1-19(20-9-4-2-5-10-20)29-26(33)22-14-17-32(18-15-22)25-23(13-8-16-28-25)27-30-24(31-34-27)21-11-6-3-7-12-21/h2-13,16,19,22H,14-15,17-18H2,1H3,(H,29,33)/t19-/m0/s1
InChIKeyIPVXRDXECVOEAK-IBGZPJMESA-N
MW453.55 g/mol
LogP4.89
Rot. Bonds6

About N-[(1S)-1-phenylethyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-4-carboxamide

N-[(1S)-1-phenylethyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 93071770) has the molecular formula C27H27N5O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-4-carboxamide
PubChem CID93071770
Molecular FormulaC27H27N5O2
Molecular Weight453.55 g/mol
Exact Mass453.22
IUPAC NameN-[(1S)-1-phenylethyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-4-carboxamide
SMILESC[C@H](NC(=O)C1CCN(c2ncccc2-c2nc(-c3ccccc3)no2)CC1)c1ccccc1
InChIInChI=1S/C27H27N5O2/c1-19(20-9-4-2-5-10-20)29-26(33)22-14-17-32(18-15-22)25-23(13-8-16-28-25)27-30-24(31-34-27)21-11-6-3-7-12-21/h2-13,16,19,22H,14-15,17-18H2,1H3,(H,29,33)/t19-/m0/s1
InChIKeyIPVXRDXECVOEAK-IBGZPJMESA-N
XLogP4.89
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.89
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]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-[(1S)-1-phenylethyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-4-carboxamide (CID 93071770) is N-[(1S)-1-phenylethyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-phenylethyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-phenylethyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-4-carboxamide is C[C@H](NC(=O)C1CCN(c2ncccc2-c2nc(-c3ccccc3)no2)CC1)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylethyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is IPVXRDXECVOEAK-IBGZPJMESA-N. The full InChI is InChI=1S/C27H27N5O2/c1-19(20-9-4-2-5-10-20)29-26(33)22-14-17-32(18-15-22)25-23(13-8-16-28-25)27-30-24(31-34-27)21-11-6-3-7-12-21/h2-13,16,19,22H,14-15,17-18H2,1H3,(H,29,33)/t19-/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-4-carboxamide?
N-[(1S)-1-phenylethyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 453.55 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 93071770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).