N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3,4-dimethyl-5-oxopiperazine-1-carboxamide

C15H26N4O3 — CID 136540498

IUPACN-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3,4-dimethyl-5-oxopiperazine-1-carboxamide
SMILESCC1CN(C(=O)NC2CC(=O)N(C(C)(C)C)C2)CC(=O)N1C
InChIInChI=1S/C15H26N4O3/c1-10-7-18(9-13(21)17(10)5)14(22)16-11-6-12(20)19(8-11)15(2,3)4/h10-11H,6-9H2,1-5H3,(H,16,22)
InChIKeyIKSRHDGMDSOCMK-UHFFFAOYSA-N
MW310.40 g/mol
LogP0.26
Rot. Bonds1

About N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3,4-dimethyl-5-oxopiperazine-1-carboxamide

N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3,4-dimethyl-5-oxopiperazine-1-carboxamide (PubChem CID 136540498) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3,4-dimethyl-5-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3,4-dimethyl-5-oxopiperazine-1-carboxamide
PubChem CID136540498
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC NameN-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3,4-dimethyl-5-oxopiperazine-1-carboxamide
SMILESCC1CN(C(=O)NC2CC(=O)N(C(C)(C)C)C2)CC(=O)N1C
InChIInChI=1S/C15H26N4O3/c1-10-7-18(9-13(21)17(10)5)14(22)16-11-6-12(20)19(8-11)15(2,3)4/h10-11H,6-9H2,1-5H3,(H,16,22)
InChIKeyIKSRHDGMDSOCMK-UHFFFAOYSA-N
XLogP0.26
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,4-dimethyl-5-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
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1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-cyclohexylurea
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(2S,4S)-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-methylpiperidine-4-carboxamide
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N-(1-tert-butyl-5-oxopyrrolidin-3-yl)pentanamide
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1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-(2-chloroethyl)urea
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N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(cyclopropylmethylamino)acetamide
CID 119818280
4-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)butanamide
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N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
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(3S)-N-[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 96538404
N-[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]-4-(1,2,4-triazol-1-ylmethyl)piperidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3,4-dimethyl-5-oxopiperazine-1-carboxamide?
The IUPAC name of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3,4-dimethyl-5-oxopiperazine-1-carboxamide (CID 136540498) is N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3,4-dimethyl-5-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3,4-dimethyl-5-oxopiperazine-1-carboxamide?
The canonical SMILES for N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3,4-dimethyl-5-oxopiperazine-1-carboxamide is CC1CN(C(=O)NC2CC(=O)N(C(C)(C)C)C2)CC(=O)N1C.
What is the InChIKey of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3,4-dimethyl-5-oxopiperazine-1-carboxamide?
The InChIKey is IKSRHDGMDSOCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-10-7-18(9-13(21)17(10)5)14(22)16-11-6-12(20)19(8-11)15(2,3)4/h10-11H,6-9H2,1-5H3,(H,16,22).
What are the key properties of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3,4-dimethyl-5-oxopiperazine-1-carboxamide?
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3,4-dimethyl-5-oxopiperazine-1-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3,4-dimethyl-5-oxopiperazine-1-carboxamide is sourced from PubChem (CID 136540498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).