2-[1-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]piperidin-3-yl]acetic acid

C15H27N3O3 — CID 63209312

IUPAC2-[1-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]piperidin-3-yl]acetic acid
SMILESCN(CCN1CCCC1)C(=O)N1CCCC(CC(=O)O)C1
InChIInChI=1S/C15H27N3O3/c1-16(9-10-17-6-2-3-7-17)15(21)18-8-4-5-13(12-18)11-14(19)20/h13H,2-12H2,1H3,(H,19,20)
InChIKeyDAJMVRZDDCFJDE-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.32
Rot. Bonds5

About 2-[1-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]piperidin-3-yl]acetic acid

2-[1-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]piperidin-3-yl]acetic acid (PubChem CID 63209312) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[1-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]piperidin-3-yl]acetic acid
PubChem CID63209312
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-[1-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]piperidin-3-yl]acetic acid
SMILESCN(CCN1CCCC1)C(=O)N1CCCC(CC(=O)O)C1
InChIInChI=1S/C15H27N3O3/c1-16(9-10-17-6-2-3-7-17)15(21)18-8-4-5-13(12-18)11-14(19)20/h13H,2-12H2,1H3,(H,19,20)
InChIKeyDAJMVRZDDCFJDE-UHFFFAOYSA-N
XLogP1.32
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]piperidin-3-yl]acetic acid
CID 62676642
2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]acetic acid
CID 62689121
2-[1-[cyclopentyl(ethyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62691355
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
2-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid
CID 79320053
2-[1-[methyl(2-propan-2-yloxyethyl)carbamoyl]pyrrolidin-3-yl]acetic acid
CID 81058040
2-[1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]pyrrolidin-3-yl]acetic acid
CID 79379381
2-[1-(cycloheptanecarbonyl)piperidin-3-yl]acetic acid
CID 62691115
2-[(3R)-1-(2-methylpropyl)piperidin-3-yl]acetic acid
CID 86324356
N,3-diethyl-N-methylpiperidine-1-carboxamide
CID 116654344
N-(2-aminoethyl)-3-ethyl-N-methylpiperidine-1-carboxamide
CID 82508730
3-(aminomethyl)-N-ethyl-N-methylpiperidine-1-carboxamide
CID 79159626

Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]piperidin-3-yl]acetic acid (CID 63209312) is 2-[1-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]piperidin-3-yl]acetic acid is CN(CCN1CCCC1)C(=O)N1CCCC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]piperidin-3-yl]acetic acid?
The InChIKey is DAJMVRZDDCFJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-16(9-10-17-6-2-3-7-17)15(21)18-8-4-5-13(12-18)11-14(19)20/h13H,2-12H2,1H3,(H,19,20).
What are the key properties of 2-[1-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]piperidin-3-yl]acetic acid?
2-[1-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]piperidin-3-yl]acetic acid has a molecular weight of 297.40 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 63209312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).