4-[3-[(1S)-2,2-dimethylcyclohexyl]propanoyl]piperazine-1-carboxamide

C16H29N3O2 — CID 122468270

IUPAC4-[3-[(1S)-2,2-dimethylcyclohexyl]propanoyl]piperazine-1-carboxamide
SMILESCC1(C)CCCC[C@H]1CCC(=O)N1CCN(C(N)=O)CC1
InChIInChI=1S/C16H29N3O2/c1-16(2)8-4-3-5-13(16)6-7-14(20)18-9-11-19(12-10-18)15(17)21/h13H,3-12H2,1-2H3,(H2,17,21)/t13-/m0/s1
InChIKeyRSWQBIDWPQFYOT-ZDUSSCGKSA-N
MW295.43 g/mol
LogP2.21
Rot. Bonds3

About 4-[3-[(1S)-2,2-dimethylcyclohexyl]propanoyl]piperazine-1-carboxamide

4-[3-[(1S)-2,2-dimethylcyclohexyl]propanoyl]piperazine-1-carboxamide (PubChem CID 122468270) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-[3-[(1S)-2,2-dimethylcyclohexyl]propanoyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-[(1S)-2,2-dimethylcyclohexyl]propanoyl]piperazine-1-carboxamide
PubChem CID122468270
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name4-[3-[(1S)-2,2-dimethylcyclohexyl]propanoyl]piperazine-1-carboxamide
SMILESCC1(C)CCCC[C@H]1CCC(=O)N1CCN(C(N)=O)CC1
InChIInChI=1S/C16H29N3O2/c1-16(2)8-4-3-5-13(16)6-7-14(20)18-9-11-19(12-10-18)15(17)21/h13H,3-12H2,1-2H3,(H2,17,21)/t13-/m0/s1
InChIKeyRSWQBIDWPQFYOT-ZDUSSCGKSA-N
XLogP2.21
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(1S)-2,2-dimethylcyclohexyl]propanoyl]piperazine-1-carboxamide?
The IUPAC name of 4-[3-[(1S)-2,2-dimethylcyclohexyl]propanoyl]piperazine-1-carboxamide (CID 122468270) is 4-[3-[(1S)-2,2-dimethylcyclohexyl]propanoyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[3-[(1S)-2,2-dimethylcyclohexyl]propanoyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[3-[(1S)-2,2-dimethylcyclohexyl]propanoyl]piperazine-1-carboxamide is CC1(C)CCCC[C@H]1CCC(=O)N1CCN(C(N)=O)CC1.
What is the InChIKey of 4-[3-[(1S)-2,2-dimethylcyclohexyl]propanoyl]piperazine-1-carboxamide?
The InChIKey is RSWQBIDWPQFYOT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-16(2)8-4-3-5-13(16)6-7-14(20)18-9-11-19(12-10-18)15(17)21/h13H,3-12H2,1-2H3,(H2,17,21)/t13-/m0/s1.
What are the key properties of 4-[3-[(1S)-2,2-dimethylcyclohexyl]propanoyl]piperazine-1-carboxamide?
4-[3-[(1S)-2,2-dimethylcyclohexyl]propanoyl]piperazine-1-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(1S)-2,2-dimethylcyclohexyl]propanoyl]piperazine-1-carboxamide is sourced from PubChem (CID 122468270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).