1-(4-methylpiperidine-4-carbonyl)azepane-2-carboxylic acid

C14H24N2O3 — CID 64564458

IUPAC1-(4-methylpiperidine-4-carbonyl)azepane-2-carboxylic acid
SMILESCC1(C(=O)N2CCCCCC2C(=O)O)CCNCC1
InChIInChI=1S/C14H24N2O3/c1-14(6-8-15-9-7-14)13(19)16-10-4-2-3-5-11(16)12(17)18/h11,15H,2-10H2,1H3,(H,17,18)
InChIKeyCQQHFIPFKGWJEU-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.23
Rot. Bonds2

About 1-(4-methylpiperidine-4-carbonyl)azepane-2-carboxylic acid

1-(4-methylpiperidine-4-carbonyl)azepane-2-carboxylic acid (PubChem CID 64564458) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(4-methylpiperidine-4-carbonyl)azepane-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-methylpiperidine-4-carbonyl)azepane-2-carboxylic acid
PubChem CID64564458
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-(4-methylpiperidine-4-carbonyl)azepane-2-carboxylic acid
SMILESCC1(C(=O)N2CCCCCC2C(=O)O)CCNCC1
InChIInChI=1S/C14H24N2O3/c1-14(6-8-15-9-7-14)13(19)16-10-4-2-3-5-11(16)12(17)18/h11,15H,2-10H2,1H3,(H,17,18)
InChIKeyCQQHFIPFKGWJEU-UHFFFAOYSA-N
XLogP1.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylpyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 63141329
1-(4-methylpiperidine-4-carbonyl)piperidine-2-carboxamide
CID 55177939
(2R)-1-(3-methylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
CID 79034861
1-(4-ethylpiperidine-4-carbonyl)azepane-2-carboxylic acid
CID 64562121
(2S)-1-(4-propylpiperidine-4-carbonyl)piperidine-2-carboxylic acid
CID 66264087
(2R)-1-(4-methoxypiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 114284514
(2R)-1-(4-ethylpiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78925392
(2S)-1-(3-ethylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid
CID 66264088
(2-cyclopentylpyrrolidin-1-yl)-(4-methylpiperidin-4-yl)methanone
CID 63122988
1-(2-ethylpyrrolidine-2-carbonyl)azepane-2-carboxylic acid
CID 83072399
azepan-1-yl-(4-methylpiperidin-4-yl)methanone
CID 63121497
(2R)-1-(2-methylthiolane-2-carbonyl)piperidine-2-carboxylic acid
CID 81452843

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidine-4-carbonyl)azepane-2-carboxylic acid?
The IUPAC name of 1-(4-methylpiperidine-4-carbonyl)azepane-2-carboxylic acid (CID 64564458) is 1-(4-methylpiperidine-4-carbonyl)azepane-2-carboxylic acid.
What is the SMILES notation for 1-(4-methylpiperidine-4-carbonyl)azepane-2-carboxylic acid?
The canonical SMILES for 1-(4-methylpiperidine-4-carbonyl)azepane-2-carboxylic acid is CC1(C(=O)N2CCCCCC2C(=O)O)CCNCC1.
What is the InChIKey of 1-(4-methylpiperidine-4-carbonyl)azepane-2-carboxylic acid?
The InChIKey is CQQHFIPFKGWJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-14(6-8-15-9-7-14)13(19)16-10-4-2-3-5-11(16)12(17)18/h11,15H,2-10H2,1H3,(H,17,18).
What are the key properties of 1-(4-methylpiperidine-4-carbonyl)azepane-2-carboxylic acid?
1-(4-methylpiperidine-4-carbonyl)azepane-2-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidine-4-carbonyl)azepane-2-carboxylic acid is sourced from PubChem (CID 64564458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).