1-(1-cyclopropylpyrrole-2-carbonyl)-4-ethylpiperidine-4-carboxylic acid

C16H22N2O3 — CID 63125271

IUPAC1-(1-cyclopropylpyrrole-2-carbonyl)-4-ethylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)c2cccn2C2CC2)CC1
InChIInChI=1S/C16H22N2O3/c1-2-16(15(20)21)7-10-17(11-8-16)14(19)13-4-3-9-18(13)12-5-6-12/h3-4,9,12H,2,5-8,10-11H2,1H3,(H,20,21)
InChIKeyBSDRUQLJMIOWCN-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.54
Rot. Bonds4

About 1-(1-cyclopropylpyrrole-2-carbonyl)-4-ethylpiperidine-4-carboxylic acid

1-(1-cyclopropylpyrrole-2-carbonyl)-4-ethylpiperidine-4-carboxylic acid (PubChem CID 63125271) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(1-cyclopropylpyrrole-2-carbonyl)-4-ethylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyclopropylpyrrole-2-carbonyl)-4-ethylpiperidine-4-carboxylic acid
PubChem CID63125271
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-(1-cyclopropylpyrrole-2-carbonyl)-4-ethylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)c2cccn2C2CC2)CC1
InChIInChI=1S/C16H22N2O3/c1-2-16(15(20)21)7-10-17(11-8-16)14(19)13-4-3-9-18(13)12-5-6-12/h3-4,9,12H,2,5-8,10-11H2,1H3,(H,20,21)
InChIKeyBSDRUQLJMIOWCN-UHFFFAOYSA-N
XLogP2.54
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-cyclopentylpyrrol-2-yl)-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 110009433
1-(1-ethylpyrrole-2-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63125677
[(3aR,7S,7aS)-7-ethyl-7-hydroxy-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-(1-cyclopropylpyrrol-2-yl)methanone
CID 162635920
3-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-4-yl]propanoic acid
CID 62217489
(1-cyclobutylpyrrol-2-yl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406232
(1-cyclopropylpyrrol-2-yl)-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97192769
(1-cyclopropylpyrrol-2-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114680510
(1-cyclopentylpyrrol-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 138004302
4-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxylic acid
CID 63124826
4-ethyl-1-(2-methylsulfanylbenzoyl)piperidine-4-carboxylic acid
CID 63125322
1-(3-chlorobenzoyl)-4-ethylpiperidine-4-carboxylic acid
CID 63124878
1-(4-cyclopropyl-3-oxopyrazin-2-yl)-4-ethylpiperidine-4-carboxylic acid
CID 63125995

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpyrrole-2-carbonyl)-4-ethylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(1-cyclopropylpyrrole-2-carbonyl)-4-ethylpiperidine-4-carboxylic acid (CID 63125271) is 1-(1-cyclopropylpyrrole-2-carbonyl)-4-ethylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1-cyclopropylpyrrole-2-carbonyl)-4-ethylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(1-cyclopropylpyrrole-2-carbonyl)-4-ethylpiperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)c2cccn2C2CC2)CC1.
What is the InChIKey of 1-(1-cyclopropylpyrrole-2-carbonyl)-4-ethylpiperidine-4-carboxylic acid?
The InChIKey is BSDRUQLJMIOWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-16(15(20)21)7-10-17(11-8-16)14(19)13-4-3-9-18(13)12-5-6-12/h3-4,9,12H,2,5-8,10-11H2,1H3,(H,20,21).
What are the key properties of 1-(1-cyclopropylpyrrole-2-carbonyl)-4-ethylpiperidine-4-carboxylic acid?
1-(1-cyclopropylpyrrole-2-carbonyl)-4-ethylpiperidine-4-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpyrrole-2-carbonyl)-4-ethylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63125271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).