1-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid

C15H26N2O4 — CID 107394038

IUPAC1-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCOC1(C)CCCN(C(=O)NCC2(C(=O)O)CCCC2)C1
InChIInChI=1S/C15H26N2O4/c1-14(21-2)6-5-9-17(11-14)13(20)16-10-15(12(18)19)7-3-4-8-15/h3-11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyACFYIBFYYUCKSV-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.84
Rot. Bonds4

About 1-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid

1-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 107394038) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID107394038
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCOC1(C)CCCN(C(=O)NCC2(C(=O)O)CCCC2)C1
InChIInChI=1S/C15H26N2O4/c1-14(21-2)6-5-9-17(11-14)13(20)16-10-15(12(18)19)7-3-4-8-15/h3-11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyACFYIBFYYUCKSV-UHFFFAOYSA-N
XLogP1.84
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]butanoic acid
CID 107393953
3-hydroxy-4-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 107393998
1-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 107393937
3-ethyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 63829635
2-hydroxy-4-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 107841554
3-methoxy-3-methylpiperidine-1-carbohydrazide
CID 107394148
1-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 102963018
5-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-2-methylpentanoic acid
CID 107393924
1-[[(4-acetyl-1,4-diazepane-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115446651
3-cyclopropyl-3-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 107393967
1-[[(4-methyl-1,4-diazepane-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115446252
1-[[(3-methoxycarbonylpyrrolidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115434458

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid (CID 107394038) is 1-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid is COC1(C)CCCN(C(=O)NCC2(C(=O)O)CCCC2)C1.
What is the InChIKey of 1-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is ACFYIBFYYUCKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-14(21-2)6-5-9-17(11-14)13(20)16-10-15(12(18)19)7-3-4-8-15/h3-11H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 1-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
1-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 107394038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).