2-[1-[(1-methylpiperidin-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid

C15H27N3O3 — CID 79612545

IUPAC2-[1-[(1-methylpiperidin-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid
SMILESCN1CCCC(CNC(=O)N2CCC(CC(=O)O)CC2)C1
InChIInChI=1S/C15H27N3O3/c1-17-6-2-3-13(11-17)10-16-15(21)18-7-4-12(5-8-18)9-14(19)20/h12-13H,2-11H2,1H3,(H,16,21)(H,19,20)
InChIKeyAEQJSOOSAHBIKL-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.22
Rot. Bonds4

About 2-[1-[(1-methylpiperidin-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid

2-[1-[(1-methylpiperidin-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid (PubChem CID 79612545) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[1-[(1-methylpiperidin-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1-methylpiperidin-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid
PubChem CID79612545
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-[1-[(1-methylpiperidin-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid
SMILESCN1CCCC(CNC(=O)N2CCC(CC(=O)O)CC2)C1
InChIInChI=1S/C15H27N3O3/c1-17-6-2-3-13(11-17)10-16-15(21)18-7-4-12(5-8-18)9-14(19)20/h12-13H,2-11H2,1H3,(H,16,21)(H,19,20)
InChIKeyAEQJSOOSAHBIKL-UHFFFAOYSA-N
XLogP1.22
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(cyclopropylmethylcarbamoyl)piperidin-4-yl]acetic acid
CID 79608907
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
2-[1-[(4-methylcyclohexyl)methylcarbamoyl]piperidin-3-yl]acetic acid
CID 63244628
2-[1-(cyclobutylmethylcarbamoyl)azetidin-3-yl]acetic acid
CID 64616008
3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide
CID 116654402
1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 60855267
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433
2-[1-(propylcarbamoyl)piperidin-4-yl]acetic acid
CID 29080141
2-[4-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]-1,4-diazepan-1-yl]acetic acid
CID 62823597
2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-4-yl]acetic acid
CID 106005309
4-hydroxy-N-[(1-methylpiperidin-3-yl)methyl]-4-phenylpiperidine-1-carboxamide
CID 119061368
2-[1-(3-methylbut-2-enylcarbamoyl)piperidin-4-yl]acetic acid
CID 114156215

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-methylpiperidin-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[(1-methylpiperidin-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid (CID 79612545) is 2-[1-[(1-methylpiperidin-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[(1-methylpiperidin-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[(1-methylpiperidin-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid is CN1CCCC(CNC(=O)N2CCC(CC(=O)O)CC2)C1.
What is the InChIKey of 2-[1-[(1-methylpiperidin-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid?
The InChIKey is AEQJSOOSAHBIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-17-6-2-3-13(11-17)10-16-15(21)18-7-4-12(5-8-18)9-14(19)20/h12-13H,2-11H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 2-[1-[(1-methylpiperidin-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid?
2-[1-[(1-methylpiperidin-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid has a molecular weight of 297.40 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-methylpiperidin-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 79612545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).