1-[butan-2-yl(ethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid

C14H26N2O3 — CID 55179302

IUPAC1-[butan-2-yl(ethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
SMILESCCC(C)N(CC)C(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C14H26N2O3/c1-5-11(3)16(6-2)13(19)15-9-7-14(4,8-10-15)12(17)18/h11H,5-10H2,1-4H3,(H,17,18)
InChIKeyNOQGADXPEGHETF-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.41
Rot. Bonds4

About 1-[butan-2-yl(ethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid

1-[butan-2-yl(ethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid (PubChem CID 55179302) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[butan-2-yl(ethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[butan-2-yl(ethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
PubChem CID55179302
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[butan-2-yl(ethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
SMILESCCC(C)N(CC)C(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C14H26N2O3/c1-5-11(3)16(6-2)13(19)15-9-7-14(4,8-10-15)12(17)18/h11H,5-10H2,1-4H3,(H,17,18)
InChIKeyNOQGADXPEGHETF-UHFFFAOYSA-N
XLogP2.41
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[ethyl(propan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 55179110
1-[butan-2-yl(ethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149265
4-methyl-1-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]piperidine-4-carboxylic acid
CID 115986555
1-[2-cyanoethyl(propan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63124654
1-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63124064
1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-4-carboxylic acid
CID 79023198
1-(2,2-difluoroacetyl)-4-methylpiperidine-4-carboxylic acid
CID 103513272
1-(3,3-dimethylbutan-2-yloxycarbonyl)-4-methylpiperidine-4-carboxylic acid
CID 151047348
1-[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146995
4-methyl-1-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]piperidine-4-carboxylic acid
CID 106917346
4-methyl-1-[2-(methylamino)acetyl]piperidine-4-carboxylic acid
CID 63123860
1-[1-(dimethylamino)propan-2-ylcarbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 82950465

Frequently Asked Questions

What is the IUPAC name of 1-[butan-2-yl(ethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[butan-2-yl(ethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid (CID 55179302) is 1-[butan-2-yl(ethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[butan-2-yl(ethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[butan-2-yl(ethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid is CCC(C)N(CC)C(=O)N1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 1-[butan-2-yl(ethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid?
The InChIKey is NOQGADXPEGHETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-11(3)16(6-2)13(19)15-9-7-14(4,8-10-15)12(17)18/h11H,5-10H2,1-4H3,(H,17,18).
What are the key properties of 1-[butan-2-yl(ethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid?
1-[butan-2-yl(ethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butan-2-yl(ethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 55179302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).