(2S)-1-(4-acetylpiperazine-1-carbonyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide

C20H31N5O4 — CID 46873104

IUPAC(2S)-1-(4-acetylpiperazine-1-carbonyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)N2CCCC[C@H]2C(=O)Nc2cc(C(C)(C)C)on2)CC1
InChIInChI=1S/C20H31N5O4/c1-14(26)23-9-11-24(12-10-23)19(28)25-8-6-5-7-15(25)18(27)21-17-13-16(29-22-17)20(2,3)4/h13,15H,5-12H2,1-4H3,(H,21,22,27)/t15-/m0/s1
InChIKeyCDGWVADVWKHVNY-HNNXBMFYSA-N
MW405.50 g/mol
LogP2.05
Rot. Bonds2

About (2S)-1-(4-acetylpiperazine-1-carbonyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide

(2S)-1-(4-acetylpiperazine-1-carbonyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide (PubChem CID 46873104) has the molecular formula C20H31N5O4 and a molecular weight of 405.50 g/mol. Its IUPAC name is (2S)-1-(4-acetylpiperazine-1-carbonyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4-acetylpiperazine-1-carbonyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide
PubChem CID46873104
Molecular FormulaC20H31N5O4
Molecular Weight405.50 g/mol
Exact Mass405.24
IUPAC Name(2S)-1-(4-acetylpiperazine-1-carbonyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)N2CCCC[C@H]2C(=O)Nc2cc(C(C)(C)C)on2)CC1
InChIInChI=1S/C20H31N5O4/c1-14(26)23-9-11-24(12-10-23)19(28)25-8-6-5-7-15(25)18(27)21-17-13-16(29-22-17)20(2,3)4/h13,15H,5-12H2,1-4H3,(H,21,22,27)/t15-/m0/s1
InChIKeyCDGWVADVWKHVNY-HNNXBMFYSA-N
XLogP2.05
TPSA98.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-acetylpiperazine-1-carbonyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide?
The IUPAC name of (2S)-1-(4-acetylpiperazine-1-carbonyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide (CID 46873104) is (2S)-1-(4-acetylpiperazine-1-carbonyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(4-acetylpiperazine-1-carbonyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-(4-acetylpiperazine-1-carbonyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide is CC(=O)N1CCN(C(=O)N2CCCC[C@H]2C(=O)Nc2cc(C(C)(C)C)on2)CC1.
What is the InChIKey of (2S)-1-(4-acetylpiperazine-1-carbonyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide?
The InChIKey is CDGWVADVWKHVNY-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H31N5O4/c1-14(26)23-9-11-24(12-10-23)19(28)25-8-6-5-7-15(25)18(27)21-17-13-16(29-22-17)20(2,3)4/h13,15H,5-12H2,1-4H3,(H,21,22,27)/t15-/m0/s1.
What are the key properties of (2S)-1-(4-acetylpiperazine-1-carbonyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide?
(2S)-1-(4-acetylpiperazine-1-carbonyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-acetylpiperazine-1-carbonyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide is sourced from PubChem (CID 46873104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).