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

C16H28N2O3 — CID 83045912

IUPAC2-[1-(2-propylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid
SMILESCCCC1CCCCN1C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C16H28N2O3/c1-2-5-14-6-3-4-9-18(14)16(21)17-10-7-13(8-11-17)12-15(19)20/h13-14H,2-12H2,1H3,(H,19,20)
InChIKeyATBCYHVQMWEOQN-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.95
Rot. Bonds4

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

2-[1-(2-propylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid (PubChem CID 83045912) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[1-(2-propylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-propylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid
PubChem CID83045912
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-[1-(2-propylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid
SMILESCCCC1CCCCN1C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C16H28N2O3/c1-2-5-14-6-3-4-9-18(14)16(21)17-10-7-13(8-11-17)12-15(19)20/h13-14H,2-12H2,1H3,(H,19,20)
InChIKeyATBCYHVQMWEOQN-UHFFFAOYSA-N
XLogP2.95
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(piperidine-1-carbonyl)piperidin-2-yl]acetic acid
CID 61181297
2-[3-methyl-1-(2-propylpiperidine-1-carbonyl)azetidin-3-yl]oxyacetic acid
CID 102659090
(3S)-1-(2-propylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 83055984
2-[1-(4-hydroxypiperidine-1-carbonyl)piperidin-2-yl]acetic acid
CID 61190975
2-[1-[4-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-yl]acetic acid
CID 61369998
2-[1-(azocane-1-carbonyl)piperidin-4-yl]acetic acid
CID 79608844
[4-(ethylaminomethyl)piperidin-1-yl]-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 142647484
2-[1-(4-aminopiperidine-1-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61403064
3-[1-[3-(methoxymethyl)pyrrolidine-1-carbonyl]piperidin-2-yl]propanoic acid
CID 64597618
2-[1-(4-acetylpiperazine-1-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61370184
6-oxo-6-(2-propylpiperidin-1-yl)hexanoic acid
CID 83052295
2-[1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-3-yl]acetic acid
CID 62674492

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-propylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(2-propylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid (CID 83045912) is 2-[1-(2-propylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-propylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2-propylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid is CCCC1CCCCN1C(=O)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-(2-propylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid?
The InChIKey is ATBCYHVQMWEOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-2-5-14-6-3-4-9-18(14)16(21)17-10-7-13(8-11-17)12-15(19)20/h13-14H,2-12H2,1H3,(H,19,20).
What are the key properties of 2-[1-(2-propylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid?
2-[1-(2-propylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid has a molecular weight of 296.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-propylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 83045912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).