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

C20H31N5O4 — CID 75239154

IUPAC1-(4-acetylpiperazine-1-carbonyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)N2CCCCC2C(=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)
InChIKeyCDGWVADVWKHVNY-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.05
Rot. Bonds2

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

1-(4-acetylpiperazine-1-carbonyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide (PubChem CID 75239154) has the molecular formula C20H31N5O4 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-(4-acetylpiperazine-1-carbonyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-acetylpiperazine-1-carbonyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide
PubChem CID75239154
Molecular FormulaC20H31N5O4
Molecular Weight405.50 g/mol
Exact Mass405.24
IUPAC Name1-(4-acetylpiperazine-1-carbonyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)N2CCCCC2C(=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)
InChIKeyCDGWVADVWKHVNY-UHFFFAOYSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(morpholine-4-carbonyl)piperidine-2-carboxamide
CID 70865049
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(piperazine-1-carbonyl)piperidine-2-carboxamide
CID 70864988
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclohexanecarbonyl)piperidine-2-carboxamide
CID 70865040
tert-butyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]piperidine-1-carboxylate
CID 68786586
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-cyclopentylpiperidine-2-carboxamide
CID 46873516
1-[(1E,3E)-1-amino-4-(trifluoromethyl)hexa-1,3,5-trienyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide
CID 89044422
(2S)-1-[(1E,3E)-1-amino-4-(trifluoromethyl)hexa-1,3,5-trienyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide
CID 89044282
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(4-methoxycyclohexyl)methyl]piperidine-2-carboxamide
CID 90773012
2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-1-(morpholine-4-carbonyl)piperidin-2-yl]ethanone
CID 58564058
1-acetyl-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170916
(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxamide
CID 67953320
(2R)-1-(5-tert-butyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid
CID 99639521

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazine-1-carbonyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide?
The IUPAC name of 1-(4-acetylpiperazine-1-carbonyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide (CID 75239154) is 1-(4-acetylpiperazine-1-carbonyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(4-acetylpiperazine-1-carbonyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide?
The canonical SMILES for 1-(4-acetylpiperazine-1-carbonyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide is CC(=O)N1CCN(C(=O)N2CCCCC2C(=O)Nc2cc(C(C)(C)C)on2)CC1.
What is the InChIKey of 1-(4-acetylpiperazine-1-carbonyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide?
The InChIKey is CDGWVADVWKHVNY-UHFFFAOYSA-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).
What are the key properties of 1-(4-acetylpiperazine-1-carbonyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide?
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 1-(4-acetylpiperazine-1-carbonyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide is sourced from PubChem (CID 75239154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).