1-[2-(1-aminocyclohexyl)acetyl]-3-methylpiperidine-3-carboxylic acid

C15H26N2O3 — CID 64677649

IUPAC1-[2-(1-aminocyclohexyl)acetyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)CC2(N)CCCCC2)C1
InChIInChI=1S/C15H26N2O3/c1-14(13(19)20)6-5-9-17(11-14)12(18)10-15(16)7-3-2-4-8-15/h2-11,16H2,1H3,(H,19,20)
InChIKeyHWDPFHYSXAEJJP-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.75
Rot. Bonds3

About 1-[2-(1-aminocyclohexyl)acetyl]-3-methylpiperidine-3-carboxylic acid

1-[2-(1-aminocyclohexyl)acetyl]-3-methylpiperidine-3-carboxylic acid (PubChem CID 64677649) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[2-(1-aminocyclohexyl)acetyl]-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1-aminocyclohexyl)acetyl]-3-methylpiperidine-3-carboxylic acid
PubChem CID64677649
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[2-(1-aminocyclohexyl)acetyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)CC2(N)CCCCC2)C1
InChIInChI=1S/C15H26N2O3/c1-14(13(19)20)6-5-9-17(11-14)12(18)10-15(16)7-3-2-4-8-15/h2-11,16H2,1H3,(H,19,20)
InChIKeyHWDPFHYSXAEJJP-UHFFFAOYSA-N
XLogP1.75
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-aminocyclohexyl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981575
2-(1-aminocyclobutyl)-1-(azepan-1-yl)ethanone
CID 79851408
1-(4-acetylpiperazin-1-yl)-2-(1-aminocyclohexyl)ethanone
CID 64683862
2-(1-aminocyclobutyl)-1-(azocan-1-yl)ethanone;hydrochloride
CID 91659456
1-(2-butylsulfanylacetyl)-3-methylpiperidine-3-carboxylic acid
CID 63134117
1-(4-acetyl-1,4-diazepan-1-yl)-2-(1-aminocyclopentyl)ethanone
CID 64679240
2-(1-aminocyclohexyl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 64685550
1-[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]-3-methylpiperidine-3-carboxylic acid
CID 82964102
1-(dimethylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 63136050
1-amino-3-methylpiperidine-3-carboxylic acid
CID 151231433
1-(2-ethylbutanoyl)-3-methylpiperidine-3-carboxylic acid
CID 63133956
1-[3-(4-aminophenyl)propanoyl]-3-methylpiperidine-3-carboxylic acid
CID 115341439

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminocyclohexyl)acetyl]-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(1-aminocyclohexyl)acetyl]-3-methylpiperidine-3-carboxylic acid (CID 64677649) is 1-[2-(1-aminocyclohexyl)acetyl]-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(1-aminocyclohexyl)acetyl]-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(1-aminocyclohexyl)acetyl]-3-methylpiperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(C(=O)CC2(N)CCCCC2)C1.
What is the InChIKey of 1-[2-(1-aminocyclohexyl)acetyl]-3-methylpiperidine-3-carboxylic acid?
The InChIKey is HWDPFHYSXAEJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-14(13(19)20)6-5-9-17(11-14)12(18)10-15(16)7-3-2-4-8-15/h2-11,16H2,1H3,(H,19,20).
What are the key properties of 1-[2-(1-aminocyclohexyl)acetyl]-3-methylpiperidine-3-carboxylic acid?
1-[2-(1-aminocyclohexyl)acetyl]-3-methylpiperidine-3-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminocyclohexyl)acetyl]-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 64677649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).