2-[3-(cyclopentylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetic acid

C16H30N2O2 — CID 83998151

IUPAC2-[3-(cyclopentylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetic acid
SMILESCC(C)C1CC(NCC2CCCC2)CN(CC(=O)O)C1
InChIInChI=1S/C16H30N2O2/c1-12(2)14-7-15(10-18(9-14)11-16(19)20)17-8-13-5-3-4-6-13/h12-15,17H,3-11H2,1-2H3,(H,19,20)
InChIKeyFALYZGIVFBHYHJ-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.20
Rot. Bonds6

About 2-[3-(cyclopentylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetic acid

2-[3-(cyclopentylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetic acid (PubChem CID 83998151) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-[3-(cyclopentylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(cyclopentylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetic acid
PubChem CID83998151
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-[3-(cyclopentylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetic acid
SMILESCC(C)C1CC(NCC2CCCC2)CN(CC(=O)O)C1
InChIInChI=1S/C16H30N2O2/c1-12(2)14-7-15(10-18(9-14)11-16(19)20)17-8-13-5-3-4-6-13/h12-15,17H,3-11H2,1-2H3,(H,19,20)
InChIKeyFALYZGIVFBHYHJ-UHFFFAOYSA-N
XLogP2.20
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3-(cyclopropylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetate
CID 83996782
3-[3-(cyclopropylmethylamino)-5-propan-2-ylpiperidin-1-yl]propanoic acid
CID 83996752
N-(cyclobutylmethyl)-1-(2-methylpropyl)-5-propan-2-ylpiperidin-3-amine
CID 83996998
2-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid
CID 83997461
1-[5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol
CID 83997701
2-[3-(cyclopropylmethylamino)-5-ethylpiperidin-1-yl]acetic acid
CID 83996764
methyl 2-[3-(cyclopropylamino)-5-propan-2-ylpiperidin-1-yl]acetate
CID 83991939
2-[3-(1-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid
CID 83996085
2-[3-(cyclopentylmethylamino)-5-methylpiperidin-1-yl]acetamide
CID 83998206
1-[5-(cyclopentylmethylamino)-1-methylpiperidin-3-yl]ethanol
CID 83997610
1-[1-(cyclobutylmethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]propan-1-ol
CID 83996736
3-(cyclopentylmethylamino)-5-(1-hydroxypropyl)piperidine-1-carboxamide
CID 83997808

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopentylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetic acid?
The IUPAC name of 2-[3-(cyclopentylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetic acid (CID 83998151) is 2-[3-(cyclopentylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(cyclopentylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(cyclopentylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetic acid is CC(C)C1CC(NCC2CCCC2)CN(CC(=O)O)C1.
What is the InChIKey of 2-[3-(cyclopentylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetic acid?
The InChIKey is FALYZGIVFBHYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12(2)14-7-15(10-18(9-14)11-16(19)20)17-8-13-5-3-4-6-13/h12-15,17H,3-11H2,1-2H3,(H,19,20).
What are the key properties of 2-[3-(cyclopentylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetic acid?
2-[3-(cyclopentylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetic acid has a molecular weight of 282.43 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopentylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetic acid is sourced from PubChem (CID 83998151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).