2-[1-[(4-methoxypiperidine-1-carbonyl)amino]cyclohexyl]acetic acid

C15H26N2O4 — CID 64700651

IUPAC2-[1-[(4-methoxypiperidine-1-carbonyl)amino]cyclohexyl]acetic acid
SMILESCOC1CCN(C(=O)NC2(CC(=O)O)CCCCC2)CC1
InChIInChI=1S/C15H26N2O4/c1-21-12-5-9-17(10-6-12)14(20)16-15(11-13(18)19)7-3-2-4-8-15/h12H,2-11H2,1H3,(H,16,20)(H,18,19)
InChIKeyIQRYQDJCAHHPKF-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.98
Rot. Bonds4

About 2-[1-[(4-methoxypiperidine-1-carbonyl)amino]cyclohexyl]acetic acid

2-[1-[(4-methoxypiperidine-1-carbonyl)amino]cyclohexyl]acetic acid (PubChem CID 64700651) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[1-[(4-methoxypiperidine-1-carbonyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-methoxypiperidine-1-carbonyl)amino]cyclohexyl]acetic acid
PubChem CID64700651
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[1-[(4-methoxypiperidine-1-carbonyl)amino]cyclohexyl]acetic acid
SMILESCOC1CCN(C(=O)NC2(CC(=O)O)CCCCC2)CC1
InChIInChI=1S/C15H26N2O4/c1-21-12-5-9-17(10-6-12)14(20)16-15(11-13(18)19)7-3-2-4-8-15/h12H,2-11H2,1H3,(H,16,20)(H,18,19)
InChIKeyIQRYQDJCAHHPKF-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(4-methoxypiperidine-1-carbonyl)amino]cyclopentyl]acetic acid
CID 64700652
2-[1-(piperidine-1-carbonylamino)cyclopentyl]acetic acid
CID 64702189
2-[1-[(4-aminopiperidine-1-carbonyl)amino]cyclopentyl]acetic acid
CID 64701838
1-[(4-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 11608918
2-[1-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid
CID 102962682
2-[1-[(4-propan-2-ylazepane-1-carbonyl)amino]cyclobutyl]acetic acid
CID 79842703
2-[1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid
CID 106588104
2-[1-[[(3-methoxypyrrolidine-1-carbonyl)amino]methyl]cyclohexyl]acetic acid
CID 103536134
2-[1-[(2,6-dimethylthiomorpholine-4-carbonyl)amino]cyclohexyl]acetic acid
CID 64701697
2-[1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid
CID 79845570
2-[1-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid
CID 79842690
2-[1-[(2,6-dimethylmorpholine-4-carbonyl)amino]cyclopentyl]acetic acid
CID 64700428

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methoxypiperidine-1-carbonyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(4-methoxypiperidine-1-carbonyl)amino]cyclohexyl]acetic acid (CID 64700651) is 2-[1-[(4-methoxypiperidine-1-carbonyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-methoxypiperidine-1-carbonyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(4-methoxypiperidine-1-carbonyl)amino]cyclohexyl]acetic acid is COC1CCN(C(=O)NC2(CC(=O)O)CCCCC2)CC1.
What is the InChIKey of 2-[1-[(4-methoxypiperidine-1-carbonyl)amino]cyclohexyl]acetic acid?
The InChIKey is IQRYQDJCAHHPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-21-12-5-9-17(10-6-12)14(20)16-15(11-13(18)19)7-3-2-4-8-15/h12H,2-11H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[1-[(4-methoxypiperidine-1-carbonyl)amino]cyclohexyl]acetic acid?
2-[1-[(4-methoxypiperidine-1-carbonyl)amino]cyclohexyl]acetic acid has a molecular weight of 298.38 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methoxypiperidine-1-carbonyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 64700651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).