1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-4-propylpiperidine-4-carboxylic acid

C15H28N2O4 — CID 79379251

IUPAC1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)N(C)CC(C)(C)O)CC1
InChIInChI=1S/C15H28N2O4/c1-5-6-15(12(18)19)7-9-17(10-8-15)13(20)16(4)11-14(2,3)21/h21H,5-11H2,1-4H3,(H,18,19)
InChIKeyPKXLCTWOPANCGJ-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.78
Rot. Bonds5

About 1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-4-propylpiperidine-4-carboxylic acid

1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-4-propylpiperidine-4-carboxylic acid (PubChem CID 79379251) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-4-propylpiperidine-4-carboxylic acid
PubChem CID79379251
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)N(C)CC(C)(C)O)CC1
InChIInChI=1S/C15H28N2O4/c1-5-6-15(12(18)19)7-9-17(10-8-15)13(20)16(4)11-14(2,3)21/h21H,5-11H2,1-4H3,(H,18,19)
InChIKeyPKXLCTWOPANCGJ-UHFFFAOYSA-N
XLogP1.78
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-4-propylpiperidine-4-carboxylic acid
CID 63125183
4-propylpiperidine-1,4-dicarboxylic acid
CID 91190681
1-[2-hydroxyethyl(methyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149367
1-(tert-butylcarbamoyl)-4-propylpiperidine-4-carboxylic acid
CID 63125699
4-propyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 63126397
4-ethyl-1-[2-hydroxypropyl(methyl)carbamoyl]piperidine-4-carboxylic acid
CID 63127367
1-(2-propan-2-ylsulfanylacetyl)-4-propylpiperidine-4-carboxylic acid
CID 63125609
1-(2,2-dimethylbutanoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 55165762
1-[2-(propan-2-ylamino)acetyl]-4-propylpiperidine-4-carboxylic acid
CID 63125470
1-hexanoyl-4-propylpiperidine-4-carboxylic acid
CID 55178926
1-[2-(dimethylamino)propylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63147880
1-[(2R)-2-amino-4-methylpentanoyl]-4-propylpiperidine-4-carboxylic acid
CID 104903455

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-4-propylpiperidine-4-carboxylic acid (CID 79379251) is 1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)N(C)CC(C)(C)O)CC1.
What is the InChIKey of 1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-4-propylpiperidine-4-carboxylic acid?
The InChIKey is PKXLCTWOPANCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-5-6-15(12(18)19)7-9-17(10-8-15)13(20)16(4)11-14(2,3)21/h21H,5-11H2,1-4H3,(H,18,19).
What are the key properties of 1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-4-propylpiperidine-4-carboxylic acid?
1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-4-propylpiperidine-4-carboxylic acid has a molecular weight of 300.40 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 79379251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).