(2R)-N-[(3S)-1-(1,3-benzoxazol-2-yl)piperidin-3-yl]-6-oxopiperidine-2-carboxamide

C18H22N4O3 — CID 146147907

IUPAC(2R)-N-[(3S)-1-(1,3-benzoxazol-2-yl)piperidin-3-yl]-6-oxopiperidine-2-carboxamide
SMILESO=C1CCC[C@H](C(=O)N[C@H]2CCCN(c3nc4ccccc4o3)C2)N1
InChIInChI=1S/C18H22N4O3/c23-16-9-3-7-14(20-16)17(24)19-12-5-4-10-22(11-12)18-21-13-6-1-2-8-15(13)25-18/h1-2,6,8,12,14H,3-5,7,9-11H2,(H,19,24)(H,20,23)/t12-,14+/m0/s1
InChIKeyDYFAQPRPWDRSPU-GXTWGEPZSA-N
MW342.40 g/mol
LogP1.58
Rot. Bonds3

About (2R)-N-[(3S)-1-(1,3-benzoxazol-2-yl)piperidin-3-yl]-6-oxopiperidine-2-carboxamide

(2R)-N-[(3S)-1-(1,3-benzoxazol-2-yl)piperidin-3-yl]-6-oxopiperidine-2-carboxamide (PubChem CID 146147907) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2R)-N-[(3S)-1-(1,3-benzoxazol-2-yl)piperidin-3-yl]-6-oxopiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(3S)-1-(1,3-benzoxazol-2-yl)piperidin-3-yl]-6-oxopiperidine-2-carboxamide
PubChem CID146147907
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name(2R)-N-[(3S)-1-(1,3-benzoxazol-2-yl)piperidin-3-yl]-6-oxopiperidine-2-carboxamide
SMILESO=C1CCC[C@H](C(=O)N[C@H]2CCCN(c3nc4ccccc4o3)C2)N1
InChIInChI=1S/C18H22N4O3/c23-16-9-3-7-14(20-16)17(24)19-12-5-4-10-22(11-12)18-21-13-6-1-2-8-15(13)25-18/h1-2,6,8,12,14H,3-5,7,9-11H2,(H,19,24)(H,20,23)/t12-,14+/m0/s1
InChIKeyDYFAQPRPWDRSPU-GXTWGEPZSA-N
XLogP1.58
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3S)-1-(1,3-benzoxazol-2-yl)piperidin-3-yl]-6-oxopiperidine-2-carboxamide?
The IUPAC name of (2R)-N-[(3S)-1-(1,3-benzoxazol-2-yl)piperidin-3-yl]-6-oxopiperidine-2-carboxamide (CID 146147907) is (2R)-N-[(3S)-1-(1,3-benzoxazol-2-yl)piperidin-3-yl]-6-oxopiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(3S)-1-(1,3-benzoxazol-2-yl)piperidin-3-yl]-6-oxopiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(3S)-1-(1,3-benzoxazol-2-yl)piperidin-3-yl]-6-oxopiperidine-2-carboxamide is O=C1CCC[C@H](C(=O)N[C@H]2CCCN(c3nc4ccccc4o3)C2)N1.
What is the InChIKey of (2R)-N-[(3S)-1-(1,3-benzoxazol-2-yl)piperidin-3-yl]-6-oxopiperidine-2-carboxamide?
The InChIKey is DYFAQPRPWDRSPU-GXTWGEPZSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-16-9-3-7-14(20-16)17(24)19-12-5-4-10-22(11-12)18-21-13-6-1-2-8-15(13)25-18/h1-2,6,8,12,14H,3-5,7,9-11H2,(H,19,24)(H,20,23)/t12-,14+/m0/s1.
What are the key properties of (2R)-N-[(3S)-1-(1,3-benzoxazol-2-yl)piperidin-3-yl]-6-oxopiperidine-2-carboxamide?
(2R)-N-[(3S)-1-(1,3-benzoxazol-2-yl)piperidin-3-yl]-6-oxopiperidine-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3S)-1-(1,3-benzoxazol-2-yl)piperidin-3-yl]-6-oxopiperidine-2-carboxamide is sourced from PubChem (CID 146147907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).