2-[1-(4-propylpiperidine-4-carbonyl)piperidin-4-yl]acetic acid

C16H28N2O3 — CID 79612982

IUPAC2-[1-(4-propylpiperidine-4-carbonyl)piperidin-4-yl]acetic acid
SMILESCCCC1(C(=O)N2CCC(CC(=O)O)CC2)CCNCC1
InChIInChI=1S/C16H28N2O3/c1-2-5-16(6-8-17-9-7-16)15(21)18-10-3-13(4-11-18)12-14(19)20/h13,17H,2-12H2,1H3,(H,19,20)
InChIKeyLEUMUAWNLAYSLI-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.87
Rot. Bonds5

About 2-[1-(4-propylpiperidine-4-carbonyl)piperidin-4-yl]acetic acid

2-[1-(4-propylpiperidine-4-carbonyl)piperidin-4-yl]acetic acid (PubChem CID 79612982) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[1-(4-propylpiperidine-4-carbonyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-propylpiperidine-4-carbonyl)piperidin-4-yl]acetic acid
PubChem CID79612982
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-[1-(4-propylpiperidine-4-carbonyl)piperidin-4-yl]acetic acid
SMILESCCCC1(C(=O)N2CCC(CC(=O)O)CC2)CCNCC1
InChIInChI=1S/C16H28N2O3/c1-2-5-16(6-8-17-9-7-16)15(21)18-10-3-13(4-11-18)12-14(19)20/h13,17H,2-12H2,1H3,(H,19,20)
InChIKeyLEUMUAWNLAYSLI-UHFFFAOYSA-N
XLogP1.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-methylpiperidine-4-carbonyl)piperidin-4-yl]acetic acid
CID 79608498
2-[1-(1-ethylcyclobutanecarbonyl)piperidin-4-yl]acetic acid
CID 119178068
(4-ethylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone
CID 63127823
[4-(methoxymethyl)piperidin-1-yl]-(3-propylpyrrolidin-3-yl)methanone
CID 63979199
1-(4-propylpiperidine-4-carbonyl)azetidine-3-carboxylic acid
CID 79310151
(1-oxo-1,4-thiazinan-4-yl)-(4-propylpiperidin-4-yl)methanone
CID 63129218
(4-propylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone
CID 63127821
[4-(ethylaminomethyl)piperidin-1-yl]-(1-propylcyclopropyl)methanone
CID 119647399
piperazin-1-yl-(3-propylpyrrolidin-3-yl)methanone
CID 63139032
4-(4-propylpiperidine-4-carbonyl)piperazine-1-sulfonamide
CID 63128829
1-(3-propylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 63141064
(2S)-1-(4-propylpiperidine-4-carbonyl)piperidine-2-carboxylic acid
CID 66264087

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-propylpiperidine-4-carbonyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(4-propylpiperidine-4-carbonyl)piperidin-4-yl]acetic acid (CID 79612982) is 2-[1-(4-propylpiperidine-4-carbonyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-propylpiperidine-4-carbonyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(4-propylpiperidine-4-carbonyl)piperidin-4-yl]acetic acid is CCCC1(C(=O)N2CCC(CC(=O)O)CC2)CCNCC1.
What is the InChIKey of 2-[1-(4-propylpiperidine-4-carbonyl)piperidin-4-yl]acetic acid?
The InChIKey is LEUMUAWNLAYSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-2-5-16(6-8-17-9-7-16)15(21)18-10-3-13(4-11-18)12-14(19)20/h13,17H,2-12H2,1H3,(H,19,20).
What are the key properties of 2-[1-(4-propylpiperidine-4-carbonyl)piperidin-4-yl]acetic acid?
2-[1-(4-propylpiperidine-4-carbonyl)piperidin-4-yl]acetic acid has a molecular weight of 296.41 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-propylpiperidine-4-carbonyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 79612982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).