1-(4,4-diethylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

C15H26N2O4 — CID 63161889

IUPAC1-(4,4-diethylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCC1(CC)CCN(C(=O)N2CC(O)CC2C(=O)O)CC1
InChIInChI=1S/C15H26N2O4/c1-3-15(4-2)5-7-16(8-6-15)14(21)17-10-11(18)9-12(17)13(19)20/h11-12,18H,3-10H2,1-2H3,(H,19,20)
InChIKeyMKXSMHLTPCAGFZ-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.53
Rot. Bonds3

About 1-(4,4-diethylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

1-(4,4-diethylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 63161889) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-(4,4-diethylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4,4-diethylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID63161889
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-(4,4-diethylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCC1(CC)CCN(C(=O)N2CC(O)CC2C(=O)O)CC1
InChIInChI=1S/C15H26N2O4/c1-3-15(4-2)5-7-16(8-6-15)14(21)17-10-11(18)9-12(17)13(19)20/h11-12,18H,3-10H2,1-2H3,(H,19,20)
InChIKeyMKXSMHLTPCAGFZ-UHFFFAOYSA-N
XLogP1.53
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-4-hydroxy-1-(4-hydroxy-4-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 81115602
(2S,4R)-1-(4-ethylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843711
(2S,4R)-1-(4-acetyl-1,4-diazepane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63842357
(2R,4R)-4-hydroxy-1-(4-propylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78999372
(2S,4S)-1-(7,7-dimethyl-1,4-thiazepane-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 107457380
(2S,4S)-4-hydroxy-1-(4-hydroxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 64714272
(2S,4R)-4-hydroxy-1-(4-propan-2-ylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 103500463
(2S,4R)-4-hydroxy-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 63844220
4-hydroxy-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 55032221
4-hydroxy-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61187508
(2R,4R)-1-[4-(dimethylamino)piperidine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999818
(2S,4R)-1-[4-(dimethylamino)piperidine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63844233

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-diethylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(4,4-diethylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 63161889) is 1-(4,4-diethylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(4,4-diethylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(4,4-diethylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is CCC1(CC)CCN(C(=O)N2CC(O)CC2C(=O)O)CC1.
What is the InChIKey of 1-(4,4-diethylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is MKXSMHLTPCAGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-3-15(4-2)5-7-16(8-6-15)14(21)17-10-11(18)9-12(17)13(19)20/h11-12,18H,3-10H2,1-2H3,(H,19,20).
What are the key properties of 1-(4,4-diethylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
1-(4,4-diethylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-diethylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 63161889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).