2-[1-(1-methylazepan-4-yl)piperidin-3-yl]acetic acid

C14H26N2O2 — CID 65072818

IUPAC2-[1-(1-methylazepan-4-yl)piperidin-3-yl]acetic acid
SMILESCN1CCCC(N2CCCC(CC(=O)O)C2)CC1
InChIInChI=1S/C14H26N2O2/c1-15-7-3-5-13(6-9-15)16-8-2-4-12(11-16)10-14(17)18/h12-13H,2-11H2,1H3,(H,17,18)
InChIKeyKOXJTFKEJMPEJH-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.66
Rot. Bonds3

About 2-[1-(1-methylazepan-4-yl)piperidin-3-yl]acetic acid

2-[1-(1-methylazepan-4-yl)piperidin-3-yl]acetic acid (PubChem CID 65072818) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-[1-(1-methylazepan-4-yl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-methylazepan-4-yl)piperidin-3-yl]acetic acid
PubChem CID65072818
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-[1-(1-methylazepan-4-yl)piperidin-3-yl]acetic acid
SMILESCN1CCCC(N2CCCC(CC(=O)O)C2)CC1
InChIInChI=1S/C14H26N2O2/c1-15-7-3-5-13(6-9-15)16-8-2-4-12(11-16)10-14(17)18/h12-13H,2-11H2,1H3,(H,17,18)
InChIKeyKOXJTFKEJMPEJH-UHFFFAOYSA-N
XLogP1.66
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-cycloheptylpiperidin-3-yl)acetic acid
CID 65060458
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
2-(1-methylpyrrolidin-3-yl)acetic acid
CID 19362950
2-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-3-yl]acetic acid
CID 65059993
1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid
CID 3162006
1-(4-methyl-1,4-diazepan-1-yl)-2-[[1-(1-methylpiperidin-4-yl)piperidin-3-yl]methylamino]ethanone
CID 142205067
2-[1-(thiolan-3-yl)piperidin-3-yl]acetic acid
CID 65060102
2-[(1-cycloheptylpiperidin-3-yl)methylamino]acetic acid
CID 106814208
2-[1-(2-oxoazepan-4-yl)piperidin-3-yl]acetic acid
CID 63888494
2-[1-(2,2-dimethyloxan-4-yl)piperidin-3-yl]acetic acid
CID 65060205
2-[(1-methylpiperidin-3-yl)methyl]prop-2-enoic acid
CID 117266962
2-(1-cyclopropylpiperidin-3-yl)acetamide
CID 175926239

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methylazepan-4-yl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(1-methylazepan-4-yl)piperidin-3-yl]acetic acid (CID 65072818) is 2-[1-(1-methylazepan-4-yl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-methylazepan-4-yl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(1-methylazepan-4-yl)piperidin-3-yl]acetic acid is CN1CCCC(N2CCCC(CC(=O)O)C2)CC1.
What is the InChIKey of 2-[1-(1-methylazepan-4-yl)piperidin-3-yl]acetic acid?
The InChIKey is KOXJTFKEJMPEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-15-7-3-5-13(6-9-15)16-8-2-4-12(11-16)10-14(17)18/h12-13H,2-11H2,1H3,(H,17,18).
What are the key properties of 2-[1-(1-methylazepan-4-yl)piperidin-3-yl]acetic acid?
2-[1-(1-methylazepan-4-yl)piperidin-3-yl]acetic acid has a molecular weight of 254.37 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methylazepan-4-yl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 65072818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).