1-(1-propylpyrrole-2-carbonyl)piperidine-2-carboxylic acid

C14H20N2O3 — CID 43639021

IUPAC1-(1-propylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
SMILESCCCn1cccc1C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C14H20N2O3/c1-2-8-15-9-5-7-11(15)13(17)16-10-4-3-6-12(16)14(18)19/h5,7,9,12H,2-4,6,8,10H2,1H3,(H,18,19)
InChIKeyUDPKIFICLNIROR-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.98
Rot. Bonds4

About 1-(1-propylpyrrole-2-carbonyl)piperidine-2-carboxylic acid

1-(1-propylpyrrole-2-carbonyl)piperidine-2-carboxylic acid (PubChem CID 43639021) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-(1-propylpyrrole-2-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-propylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
PubChem CID43639021
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-(1-propylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
SMILESCCCn1cccc1C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C14H20N2O3/c1-2-8-15-9-5-7-11(15)13(17)16-10-4-3-6-12(16)14(18)19/h5,7,9,12H,2-4,6,8,10H2,1H3,(H,18,19)
InChIKeyUDPKIFICLNIROR-UHFFFAOYSA-N
XLogP1.98
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(1-propylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 66264545
(2R)-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 28741403
(2R)-1-[1-(2,2,2-trifluoroethyl)pyrrole-2-carbonyl]piperidine-2-carboxylic acid
CID 104939954
(2R)-1-(1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 79034669
1-(1-propan-2-ylpyrrole-2-carbonyl)azepane-2-carboxylic acid
CID 64561262
2-(1-propylpyrrole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102891071
1-(1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 43639281
4-ethyl-1-(1-ethylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 114427000
2-[1-(1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetic acid
CID 79615657
(3-hydroxypiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone
CID 43639083
tert-butyl (2S)-1-(1-ethylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate
CID 115535793
[(3S)-3-aminopyrrolidin-1-yl]-(1-propylpyrrol-2-yl)methanone
CID 94339941

Frequently Asked Questions

What is the IUPAC name of 1-(1-propylpyrrole-2-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(1-propylpyrrole-2-carbonyl)piperidine-2-carboxylic acid (CID 43639021) is 1-(1-propylpyrrole-2-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-propylpyrrole-2-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(1-propylpyrrole-2-carbonyl)piperidine-2-carboxylic acid is CCCn1cccc1C(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-(1-propylpyrrole-2-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is UDPKIFICLNIROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-8-15-9-5-7-11(15)13(17)16-10-4-3-6-12(16)14(18)19/h5,7,9,12H,2-4,6,8,10H2,1H3,(H,18,19).
What are the key properties of 1-(1-propylpyrrole-2-carbonyl)piperidine-2-carboxylic acid?
1-(1-propylpyrrole-2-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propylpyrrole-2-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 43639021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).