2-[1-butyl-5-(cyclopentylmethylamino)piperidin-3-yl]acetic acid

C17H32N2O2 — CID 83997711

IUPAC2-[1-butyl-5-(cyclopentylmethylamino)piperidin-3-yl]acetic acid
SMILESCCCCN1CC(CC(=O)O)CC(NCC2CCCC2)C1
InChIInChI=1S/C17H32N2O2/c1-2-3-8-19-12-15(10-17(20)21)9-16(13-19)18-11-14-6-4-5-7-14/h14-16,18H,2-13H2,1H3,(H,20,21)
InChIKeyXIMJCWLCGSFNCL-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.73
Rot. Bonds8

About 2-[1-butyl-5-(cyclopentylmethylamino)piperidin-3-yl]acetic acid

2-[1-butyl-5-(cyclopentylmethylamino)piperidin-3-yl]acetic acid (PubChem CID 83997711) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 2-[1-butyl-5-(cyclopentylmethylamino)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-butyl-5-(cyclopentylmethylamino)piperidin-3-yl]acetic acid
PubChem CID83997711
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name2-[1-butyl-5-(cyclopentylmethylamino)piperidin-3-yl]acetic acid
SMILESCCCCN1CC(CC(=O)O)CC(NCC2CCCC2)C1
InChIInChI=1S/C17H32N2O2/c1-2-3-8-19-12-15(10-17(20)21)9-16(13-19)18-11-14-6-4-5-7-14/h14-16,18H,2-13H2,1H3,(H,20,21)
InChIKeyXIMJCWLCGSFNCL-UHFFFAOYSA-N
XLogP2.73
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[1-butyl-5-(cyclobutylmethylamino)piperidin-3-yl]acetate
CID 83997020
2-[5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidin-3-yl]acetic acid
CID 83998068
3-[5-(cyclopentylmethylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 83997675
2-[5-(cyclopropylmethylamino)-1-methylpiperidin-3-yl]acetic acid
CID 83996220
ethyl 2-[5-(cyclohexylmethylamino)-1-propylpiperidin-3-yl]acetate
CID 83998366
2-[5-(cyclopentylmethylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]acetic acid
CID 83998054
2-[5-(cyclobutylmethylamino)-1-cyclopropylpiperidin-3-yl]acetic acid
CID 83997306
methyl 2-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]acetate
CID 83996950
N-[2-[3-(cyclopentylmethylamino)-5-ethylpiperidin-1-yl]ethyl]acetamide
CID 83998272
3-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]propanoic acid
CID 83996953
3-[1-butyl-5-(propylamino)piperidin-3-yl]propanoic acid
CID 83990902
methyl 2-[1-butyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]acetate
CID 83994946

Frequently Asked Questions

What is the IUPAC name of 2-[1-butyl-5-(cyclopentylmethylamino)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-butyl-5-(cyclopentylmethylamino)piperidin-3-yl]acetic acid (CID 83997711) is 2-[1-butyl-5-(cyclopentylmethylamino)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-butyl-5-(cyclopentylmethylamino)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-butyl-5-(cyclopentylmethylamino)piperidin-3-yl]acetic acid is CCCCN1CC(CC(=O)O)CC(NCC2CCCC2)C1.
What is the InChIKey of 2-[1-butyl-5-(cyclopentylmethylamino)piperidin-3-yl]acetic acid?
The InChIKey is XIMJCWLCGSFNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-2-3-8-19-12-15(10-17(20)21)9-16(13-19)18-11-14-6-4-5-7-14/h14-16,18H,2-13H2,1H3,(H,20,21).
What are the key properties of 2-[1-butyl-5-(cyclopentylmethylamino)piperidin-3-yl]acetic acid?
2-[1-butyl-5-(cyclopentylmethylamino)piperidin-3-yl]acetic acid has a molecular weight of 296.45 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-butyl-5-(cyclopentylmethylamino)piperidin-3-yl]acetic acid is sourced from PubChem (CID 83997711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).