2-[1-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-3-yl]acetic acid

C16H28N2O3 — CID 103500361

IUPAC2-[1-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-3-yl]acetic acid
SMILESCC(C)C1CCN(C(=O)N2CCCC(CC(=O)O)C2)CC1
InChIInChI=1S/C16H28N2O3/c1-12(2)14-5-8-17(9-6-14)16(21)18-7-3-4-13(11-18)10-15(19)20/h12-14H,3-11H2,1-2H3,(H,19,20)
InChIKeyMQRCCZVPOXTWQW-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.66
Rot. Bonds3

About 2-[1-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-3-yl]acetic acid

2-[1-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-3-yl]acetic acid (PubChem CID 103500361) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[1-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-3-yl]acetic acid
PubChem CID103500361
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-[1-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-3-yl]acetic acid
SMILESCC(C)C1CCN(C(=O)N2CCCC(CC(=O)O)C2)CC1
InChIInChI=1S/C16H28N2O3/c1-12(2)14-5-8-17(9-6-14)16(21)18-7-3-4-13(11-18)10-15(19)20/h12-14H,3-11H2,1-2H3,(H,19,20)
InChIKeyMQRCCZVPOXTWQW-UHFFFAOYSA-N
XLogP2.66
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-ethylbutanoyl)piperidin-3-yl]acetic acid
CID 55105089
2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]acetic acid
CID 62689121
2-[1-(1-cyclopropylethylcarbamoyl)piperidin-3-yl]acetic acid
CID 62691352
2-[1-(pentan-2-ylcarbamoyl)piperidin-3-yl]acetic acid
CID 62690824
2-[1-(3-amino-2-methylpropanoyl)piperidin-3-yl]acetic acid
CID 62669859
2-[1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-3-yl]acetic acid
CID 155068611
2-[1-(4-ethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid
CID 64617041
2-[1-(3,4-dimethylpyrrolidine-1-carbonyl)pyrrolidin-3-yl]acetic acid
CID 79181595
2-[1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidin-3-yl]acetic acid
CID 114538676
2-[1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetic acid
CID 112626827
2-[1-(3-methoxypiperidine-1-carbonyl)piperidin-4-yl]acetic acid
CID 102963039
2-[1-[cyclopentyl(ethyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62691355

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-3-yl]acetic acid (CID 103500361) is 2-[1-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-3-yl]acetic acid is CC(C)C1CCN(C(=O)N2CCCC(CC(=O)O)C2)CC1.
What is the InChIKey of 2-[1-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-3-yl]acetic acid?
The InChIKey is MQRCCZVPOXTWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-12(2)14-5-8-17(9-6-14)16(21)18-7-3-4-13(11-18)10-15(19)20/h12-14H,3-11H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-3-yl]acetic acid?
2-[1-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-3-yl]acetic acid has a molecular weight of 296.41 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 103500361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).