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

C15H22N2O3 — CID 79615657

IUPAC2-[1-(1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetic acid
SMILESCCCn1cccc1C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C15H22N2O3/c1-2-7-16-8-3-4-13(16)15(20)17-9-5-12(6-10-17)11-14(18)19/h3-4,8,12H,2,5-7,9-11H2,1H3,(H,18,19)
InChIKeyNRIMDXWFSJROGI-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.22
Rot. Bonds5

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

2-[1-(1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetic acid (PubChem CID 79615657) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[1-(1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetic acid
PubChem CID79615657
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[1-(1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetic acid
SMILESCCCn1cccc1C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C15H22N2O3/c1-2-7-16-8-3-4-13(16)15(20)17-9-5-12(6-10-17)11-14(18)19/h3-4,8,12H,2,5-7,9-11H2,1H3,(H,18,19)
InChIKeyNRIMDXWFSJROGI-UHFFFAOYSA-N
XLogP2.22
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-aminopyrrolidin-1-yl]-(1-propylpyrrol-2-yl)methanone
CID 94339941
piperazin-1-yl-(1-propylpyrrol-2-yl)methanone
CID 43639000
2-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]acetic acid
CID 119178450
2-[2-(4-propylazepane-1-carbonyl)pyrrol-1-yl]acetic acid
CID 79322507
[4-(ethylaminomethyl)piperidin-1-yl]-(1-ethylpyrrol-2-yl)methanone
CID 80552636
(3S)-1-(1-propylpyrrole-2-carbonyl)piperidine-3-carboxylic acid
CID 81120632
(3-hydroxypiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone
CID 43639083
(1-ethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 43638941
(3-amino-5-methylpiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone
CID 79994432
[3-(methylamino)piperidin-1-yl]-(1-propylpyrrol-2-yl)methanone
CID 62536550
2-[2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrol-1-yl]acetic acid
CID 114799242
(4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
CID 114610014

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetic acid (CID 79615657) is 2-[1-(1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetic acid is CCCn1cccc1C(=O)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-(1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetic acid?
The InChIKey is NRIMDXWFSJROGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-7-16-8-3-4-13(16)15(20)17-9-5-12(6-10-17)11-14(18)19/h3-4,8,12H,2,5-7,9-11H2,1H3,(H,18,19).
What are the key properties of 2-[1-(1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetic acid?
2-[1-(1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetic acid has a molecular weight of 278.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 79615657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).