2-[4-[5-(4-methylcyclohexen-1-yl)-3-pyridinyl]piperazin-1-yl]-N-propan-2-ylacetamide

C21H32N4O — CID 129075134

IUPAC2-[4-[5-(4-methylcyclohexen-1-yl)-3-pyridinyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC1CC=C(c2cncc(N3CCN(CC(=O)NC(C)C)CC3)c2)CC1
InChIInChI=1S/C21H32N4O/c1-16(2)23-21(26)15-24-8-10-25(11-9-24)20-12-19(13-22-14-20)18-6-4-17(3)5-7-18/h6,12-14,16-17H,4-5,7-11,15H2,1-3H3,(H,23,26)
InChIKeySYBVBTGVDVZDTL-UHFFFAOYSA-N
MW356.51 g/mol
LogP2.93
Rot. Bonds5

About 2-[4-[5-(4-methylcyclohexen-1-yl)-3-pyridinyl]piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-[5-(4-methylcyclohexen-1-yl)-3-pyridinyl]piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 129075134) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is 2-[4-[5-(4-methylcyclohexen-1-yl)-3-pyridinyl]piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[5-(4-methylcyclohexen-1-yl)-3-pyridinyl]piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID129075134
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC Name2-[4-[5-(4-methylcyclohexen-1-yl)-3-pyridinyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC1CC=C(c2cncc(N3CCN(CC(=O)NC(C)C)CC3)c2)CC1
InChIInChI=1S/C21H32N4O/c1-16(2)23-21(26)15-24-8-10-25(11-9-24)20-12-19(13-22-14-20)18-6-4-17(3)5-7-18/h6,12-14,16-17H,4-5,7-11,15H2,1-3H3,(H,23,26)
InChIKeySYBVBTGVDVZDTL-UHFFFAOYSA-N
XLogP2.93
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(4-methylcyclohexen-1-yl)-3-pyridinyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[5-(4-methylcyclohexen-1-yl)-3-pyridinyl]piperazin-1-yl]-N-propan-2-ylacetamide (CID 129075134) is 2-[4-[5-(4-methylcyclohexen-1-yl)-3-pyridinyl]piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[5-(4-methylcyclohexen-1-yl)-3-pyridinyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[5-(4-methylcyclohexen-1-yl)-3-pyridinyl]piperazin-1-yl]-N-propan-2-ylacetamide is CC1CC=C(c2cncc(N3CCN(CC(=O)NC(C)C)CC3)c2)CC1.
What is the InChIKey of 2-[4-[5-(4-methylcyclohexen-1-yl)-3-pyridinyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is SYBVBTGVDVZDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O/c1-16(2)23-21(26)15-24-8-10-25(11-9-24)20-12-19(13-22-14-20)18-6-4-17(3)5-7-18/h6,12-14,16-17H,4-5,7-11,15H2,1-3H3,(H,23,26).
What are the key properties of 2-[4-[5-(4-methylcyclohexen-1-yl)-3-pyridinyl]piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-[5-(4-methylcyclohexen-1-yl)-3-pyridinyl]piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 356.51 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(4-methylcyclohexen-1-yl)-3-pyridinyl]piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 129075134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).