N-methyl-3-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]propanamide

C17H33N3O — CID 75362734

IUPACN-methyl-3-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]propanamide
SMILESCNC(=O)CCN1CCN(C2CCC(C(C)C)CC2)CC1
InChIInChI=1S/C17H33N3O/c1-14(2)15-4-6-16(7-5-15)20-12-10-19(11-13-20)9-8-17(21)18-3/h14-16H,4-13H2,1-3H3,(H,18,21)
InChIKeyMOGOCQRQNOLLNZ-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.95
Rot. Bonds5

About N-methyl-3-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]propanamide

N-methyl-3-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]propanamide (PubChem CID 75362734) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is N-methyl-3-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-methyl-3-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]propanamide
PubChem CID75362734
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC NameN-methyl-3-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]propanamide
SMILESCNC(=O)CCN1CCN(C2CCC(C(C)C)CC2)CC1
InChIInChI=1S/C17H33N3O/c1-14(2)15-4-6-16(7-5-15)20-12-10-19(11-13-20)9-8-17(21)18-3/h14-16H,4-13H2,1-3H3,(H,18,21)
InChIKeyMOGOCQRQNOLLNZ-UHFFFAOYSA-N
XLogP1.95
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]propanamide?
The IUPAC name of N-methyl-3-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]propanamide (CID 75362734) is N-methyl-3-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-methyl-3-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-methyl-3-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]propanamide is CNC(=O)CCN1CCN(C2CCC(C(C)C)CC2)CC1.
What is the InChIKey of N-methyl-3-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]propanamide?
The InChIKey is MOGOCQRQNOLLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-14(2)15-4-6-16(7-5-15)20-12-10-19(11-13-20)9-8-17(21)18-3/h14-16H,4-13H2,1-3H3,(H,18,21).
What are the key properties of N-methyl-3-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]propanamide?
N-methyl-3-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]propanamide has a molecular weight of 295.47 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 75362734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).