6-[(4-aminopiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid

C14H27N3O3 — CID 65289949

IUPAC6-[(4-aminopiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
SMILESCC(C)(CCNC(=O)N1CCC(N)CC1)CCC(=O)O
InChIInChI=1S/C14H27N3O3/c1-14(2,6-3-12(18)19)7-8-16-13(20)17-9-4-11(15)5-10-17/h11H,3-10,15H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyHUKLRWPCMDDSQW-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.40
Rot. Bonds6

About 6-[(4-aminopiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid

6-[(4-aminopiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid (PubChem CID 65289949) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 6-[(4-aminopiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-[(4-aminopiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
PubChem CID65289949
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name6-[(4-aminopiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
SMILESCC(C)(CCNC(=O)N1CCC(N)CC1)CCC(=O)O
InChIInChI=1S/C14H27N3O3/c1-14(2,6-3-12(18)19)7-8-16-13(20)17-9-4-11(15)5-10-17/h11H,3-10,15H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyHUKLRWPCMDDSQW-UHFFFAOYSA-N
XLogP1.40
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(4-ethylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65290004
6-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 102962215
6-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 79180887
6-[(4-aminocyclohexanecarbonyl)amino]-4,4-dimethylhexanoic acid
CID 65285791
6-[(3,4-dimethylpiperazine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65289367
4,4-dimethyl-6-[(1-methylpyrrolidin-3-yl)carbamoylamino]hexanoic acid
CID 65287791
4-amino-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 122417506
6-(2-cyclopropylpropanoylamino)-4,4-dimethylhexanoic acid
CID 83147001
3-[1-[[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]propanoic acid
CID 62211698
3-[[4-(2,2,2-trifluoroethyl)piperidine-1-carbonyl]amino]propanoic acid
CID 122018174
2-[[(4-aminopiperidine-1-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 113308752
6-[(4-ethylpiperidine-1-carbonyl)amino]hexanoic acid
CID 61421416

Frequently Asked Questions

What is the IUPAC name of 6-[(4-aminopiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid?
The IUPAC name of 6-[(4-aminopiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid (CID 65289949) is 6-[(4-aminopiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid.
What is the SMILES notation for 6-[(4-aminopiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid?
The canonical SMILES for 6-[(4-aminopiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid is CC(C)(CCNC(=O)N1CCC(N)CC1)CCC(=O)O.
What is the InChIKey of 6-[(4-aminopiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid?
The InChIKey is HUKLRWPCMDDSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-14(2,6-3-12(18)19)7-8-16-13(20)17-9-4-11(15)5-10-17/h11H,3-10,15H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 6-[(4-aminopiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid?
6-[(4-aminopiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid has a molecular weight of 285.39 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-aminopiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid is sourced from PubChem (CID 65289949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).