2-[1-[butyl(cyclopropyl)carbamoyl]piperidin-2-yl]acetic acid

C15H26N2O3 — CID 61443667

IUPAC2-[1-[butyl(cyclopropyl)carbamoyl]piperidin-2-yl]acetic acid
SMILESCCCCN(C(=O)N1CCCCC1CC(=O)O)C1CC1
InChIInChI=1S/C15H26N2O3/c1-2-3-9-16(12-7-8-12)15(20)17-10-5-4-6-13(17)11-14(18)19/h12-13H,2-11H2,1H3,(H,18,19)
InChIKeyYPBBSUPYBOOAQK-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.70
Rot. Bonds6

About 2-[1-[butyl(cyclopropyl)carbamoyl]piperidin-2-yl]acetic acid

2-[1-[butyl(cyclopropyl)carbamoyl]piperidin-2-yl]acetic acid (PubChem CID 61443667) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[1-[butyl(cyclopropyl)carbamoyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[butyl(cyclopropyl)carbamoyl]piperidin-2-yl]acetic acid
PubChem CID61443667
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[1-[butyl(cyclopropyl)carbamoyl]piperidin-2-yl]acetic acid
SMILESCCCCN(C(=O)N1CCCCC1CC(=O)O)C1CC1
InChIInChI=1S/C15H26N2O3/c1-2-3-9-16(12-7-8-12)15(20)17-10-5-4-6-13(17)11-14(18)19/h12-13H,2-11H2,1H3,(H,18,19)
InChIKeyYPBBSUPYBOOAQK-UHFFFAOYSA-N
XLogP2.70
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[butyl(2-hydroxyethyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61447659
N-butyl-N-cyclopropylpyrrolidine-1-carboxamide
CID 115579406
2-[1-(butylcarbamoyl)piperidin-2-yl]acetic acid
CID 61010692
2-(1-butanoylpiperidin-2-yl)acetic acid
CID 61010375
2-[cyclopentyl-(2-ethylpiperidine-1-carbonyl)amino]acetic acid
CID 61195643
2-[1-[2-methoxyethyl(methyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61428394
2-[1-[(4-ethylcyclohexyl)-methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 61449491
2-[1-[cyclohexylmethyl(methyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61444100
1-[butyl(cyclopropyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782010
3-[cyclopropyl-(2-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 61188251
2-[1-[1-hydroxypropan-2-yl(methyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 104552989
2-[1-[bis(prop-2-enyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61193412

Frequently Asked Questions

What is the IUPAC name of 2-[1-[butyl(cyclopropyl)carbamoyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[butyl(cyclopropyl)carbamoyl]piperidin-2-yl]acetic acid (CID 61443667) is 2-[1-[butyl(cyclopropyl)carbamoyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[butyl(cyclopropyl)carbamoyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[butyl(cyclopropyl)carbamoyl]piperidin-2-yl]acetic acid is CCCCN(C(=O)N1CCCCC1CC(=O)O)C1CC1.
What is the InChIKey of 2-[1-[butyl(cyclopropyl)carbamoyl]piperidin-2-yl]acetic acid?
The InChIKey is YPBBSUPYBOOAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-3-9-16(12-7-8-12)15(20)17-10-5-4-6-13(17)11-14(18)19/h12-13H,2-11H2,1H3,(H,18,19).
What are the key properties of 2-[1-[butyl(cyclopropyl)carbamoyl]piperidin-2-yl]acetic acid?
2-[1-[butyl(cyclopropyl)carbamoyl]piperidin-2-yl]acetic acid has a molecular weight of 282.38 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[butyl(cyclopropyl)carbamoyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 61443667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).