1-[(2S)-2-(cyclohexanecarbonylamino)-3-methylbutanoyl]piperidine-4-carboxamide

C18H31N3O3 — CID 29439895

IUPAC1-[(2S)-2-(cyclohexanecarbonylamino)-3-methylbutanoyl]piperidine-4-carboxamide
SMILESCC(C)[C@H](NC(=O)C1CCCCC1)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C18H31N3O3/c1-12(2)15(20-17(23)14-6-4-3-5-7-14)18(24)21-10-8-13(9-11-21)16(19)22/h12-15H,3-11H2,1-2H3,(H2,19,22)(H,20,23)/t15-/m0/s1
InChIKeyHLAOKYNGLCKMNV-HNNXBMFYSA-N
MW337.46 g/mol
LogP1.43
Rot. Bonds5

About 1-[(2S)-2-(cyclohexanecarbonylamino)-3-methylbutanoyl]piperidine-4-carboxamide

1-[(2S)-2-(cyclohexanecarbonylamino)-3-methylbutanoyl]piperidine-4-carboxamide (PubChem CID 29439895) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is 1-[(2S)-2-(cyclohexanecarbonylamino)-3-methylbutanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2S)-2-(cyclohexanecarbonylamino)-3-methylbutanoyl]piperidine-4-carboxamide
PubChem CID29439895
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Name1-[(2S)-2-(cyclohexanecarbonylamino)-3-methylbutanoyl]piperidine-4-carboxamide
SMILESCC(C)[C@H](NC(=O)C1CCCCC1)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C18H31N3O3/c1-12(2)15(20-17(23)14-6-4-3-5-7-14)18(24)21-10-8-13(9-11-21)16(19)22/h12-15H,3-11H2,1-2H3,(H2,19,22)(H,20,23)/t15-/m0/s1
InChIKeyHLAOKYNGLCKMNV-HNNXBMFYSA-N
XLogP1.43
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 24759417
N-[3-methyl-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]cyclohexanecarboxamide
CID 18135389
N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide
CID 24759076
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)cyclopentanecarboxamide
CID 42702289
2-(cyclohexanecarbonylamino)-3-methylbutanoic acid
CID 2958090
(2S)-2-(cyclohexanecarbonylamino)-3-methylbutanoic acid
CID 972243
N-[1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 42706571
1-[2-(carbamoylamino)-3-methylbutanoyl]pyrrolidine-3-carboxylic acid
CID 55151360
3-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid
CID 119136333
N-[1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 24594846
1-[(2R)-2-cyclohexyl-2-hydroxyacetyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 99824148
(3R)-1-[2-(carbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylic acid
CID 81118766

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(cyclohexanecarbonylamino)-3-methylbutanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2S)-2-(cyclohexanecarbonylamino)-3-methylbutanoyl]piperidine-4-carboxamide (CID 29439895) is 1-[(2S)-2-(cyclohexanecarbonylamino)-3-methylbutanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2S)-2-(cyclohexanecarbonylamino)-3-methylbutanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2S)-2-(cyclohexanecarbonylamino)-3-methylbutanoyl]piperidine-4-carboxamide is CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[(2S)-2-(cyclohexanecarbonylamino)-3-methylbutanoyl]piperidine-4-carboxamide?
The InChIKey is HLAOKYNGLCKMNV-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-12(2)15(20-17(23)14-6-4-3-5-7-14)18(24)21-10-8-13(9-11-21)16(19)22/h12-15H,3-11H2,1-2H3,(H2,19,22)(H,20,23)/t15-/m0/s1.
What are the key properties of 1-[(2S)-2-(cyclohexanecarbonylamino)-3-methylbutanoyl]piperidine-4-carboxamide?
1-[(2S)-2-(cyclohexanecarbonylamino)-3-methylbutanoyl]piperidine-4-carboxamide has a molecular weight of 337.46 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(cyclohexanecarbonylamino)-3-methylbutanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 29439895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).