4-methyl-1-(4-methylazepane-1-carbonyl)piperidine-2-carboxylic acid

C15H26N2O3 — CID 114425581

IUPAC4-methyl-1-(4-methylazepane-1-carbonyl)piperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)N2CCC(C)CC2C(=O)O)CC1
InChIInChI=1S/C15H26N2O3/c1-11-4-3-7-16(8-5-11)15(20)17-9-6-12(2)10-13(17)14(18)19/h11-13H,3-10H2,1-2H3,(H,18,19)
InChIKeyHAXNPXRGHLXHGD-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.41
Rot. Bonds1

About 4-methyl-1-(4-methylazepane-1-carbonyl)piperidine-2-carboxylic acid

4-methyl-1-(4-methylazepane-1-carbonyl)piperidine-2-carboxylic acid (PubChem CID 114425581) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 4-methyl-1-(4-methylazepane-1-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(4-methylazepane-1-carbonyl)piperidine-2-carboxylic acid
PubChem CID114425581
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name4-methyl-1-(4-methylazepane-1-carbonyl)piperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)N2CCC(C)CC2C(=O)O)CC1
InChIInChI=1S/C15H26N2O3/c1-11-4-3-7-16(8-5-11)15(20)17-9-6-12(2)10-13(17)14(18)19/h11-13H,3-10H2,1-2H3,(H,18,19)
InChIKeyHAXNPXRGHLXHGD-UHFFFAOYSA-N
XLogP2.41
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylazepane-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 63627584
1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425171
4-hydroxy-1-(4-methylazepane-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 63625992
(2S,4S)-4-hydroxy-1-(4-methylazepane-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 64713242
1-(4-methoxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425244
1-(3-hydroxypyrrolidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425542
(2S,4R)-4-hydroxy-1-(3-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 55260359
4-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)piperidine-2-carboxylic acid
CID 114425695
1-(3-methoxy-3-methylpiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 107394008
4-methyl-1-(2-methylazepane-1-carbonyl)piperidine-2-carboxylic acid
CID 114425614
4-methyl-1-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidine-2-carboxylic acid
CID 106315704
(2S)-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 28509820

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-methylazepane-1-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 4-methyl-1-(4-methylazepane-1-carbonyl)piperidine-2-carboxylic acid (CID 114425581) is 4-methyl-1-(4-methylazepane-1-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(4-methylazepane-1-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-(4-methylazepane-1-carbonyl)piperidine-2-carboxylic acid is CC1CCCN(C(=O)N2CCC(C)CC2C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-(4-methylazepane-1-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is HAXNPXRGHLXHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11-4-3-7-16(8-5-11)15(20)17-9-6-12(2)10-13(17)14(18)19/h11-13H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 4-methyl-1-(4-methylazepane-1-carbonyl)piperidine-2-carboxylic acid?
4-methyl-1-(4-methylazepane-1-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-methylazepane-1-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 114425581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).