4-methyl-4-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]pentanoic acid

C14H27N3O3 — CID 63614555

IUPAC4-methyl-4-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]pentanoic acid
SMILESCN1CCN(C(=O)NC(C)(C)CCC(=O)O)CC1(C)C
InChIInChI=1S/C14H27N3O3/c1-13(2,7-6-11(18)19)15-12(20)17-9-8-16(5)14(3,4)10-17/h6-10H2,1-5H3,(H,15,20)(H,18,19)
InChIKeyWCDKAEQFSZKFIO-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.37
Rot. Bonds4

About 4-methyl-4-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]pentanoic acid

4-methyl-4-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]pentanoic acid (PubChem CID 63614555) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-methyl-4-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]pentanoic acid
PubChem CID63614555
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name4-methyl-4-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]pentanoic acid
SMILESCN1CCN(C(=O)NC(C)(C)CCC(=O)O)CC1(C)C
InChIInChI=1S/C14H27N3O3/c1-13(2,7-6-11(18)19)15-12(20)17-9-8-16(5)14(3,4)10-17/h6-10H2,1-5H3,(H,15,20)(H,18,19)
InChIKeyWCDKAEQFSZKFIO-UHFFFAOYSA-N
XLogP1.37
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]propanoic acid
CID 63615863
4-methyl-4-(morpholine-4-carbonylamino)pentanoic acid
CID 62050012
3,3,4-trimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 116656025
4-methyl-4-[(4-propylpiperidine-1-carbonyl)amino]pentanoic acid
CID 62206502
4-methyl-4-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 62050387
4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-4-methylpentanoic acid
CID 63549164
3,3,4-trimethyl-N-propan-2-ylpiperazine-1-carboxamide
CID 116656011
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonylamino)-4-methylpentanoic acid
CID 62047614
4-[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]-4-methylpentanoic acid
CID 62061706
4-methyl-4-[(2-methyl-1,4-oxazepane-4-carbonyl)amino]pentanoic acid
CID 62967281
(2R)-4-methyl-2-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]pentanoic acid
CID 78946628
1-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 63615862

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-4-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]pentanoic acid (CID 63614555) is 4-methyl-4-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]pentanoic acid is CN1CCN(C(=O)NC(C)(C)CCC(=O)O)CC1(C)C.
What is the InChIKey of 4-methyl-4-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]pentanoic acid?
The InChIKey is WCDKAEQFSZKFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-13(2,7-6-11(18)19)15-12(20)17-9-8-16(5)14(3,4)10-17/h6-10H2,1-5H3,(H,15,20)(H,18,19).
What are the key properties of 4-methyl-4-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]pentanoic acid?
4-methyl-4-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]pentanoic acid has a molecular weight of 285.39 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 63614555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).