N-(cyclohexen-1-yl)-N-cyclopropyl-2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]acetamide

C19H33N3O2 — CID 56802886

IUPACN-(cyclohexen-1-yl)-N-cyclopropyl-2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]acetamide
SMILESCC(O)CN1CCN(CC(=O)N(C2=CCCCC2)C2CC2)CC1C
InChIInChI=1S/C19H33N3O2/c1-15-12-20(10-11-21(15)13-16(2)23)14-19(24)22(18-8-9-18)17-6-4-3-5-7-17/h6,15-16,18,23H,3-5,7-14H2,1-2H3
InChIKeyKTYIHCIZIFSZOM-UHFFFAOYSA-N
MW335.49 g/mol
LogP1.82
Rot. Bonds6

About N-(cyclohexen-1-yl)-N-cyclopropyl-2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]acetamide

N-(cyclohexen-1-yl)-N-cyclopropyl-2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]acetamide (PubChem CID 56802886) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is N-(cyclohexen-1-yl)-N-cyclopropyl-2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclohexen-1-yl)-N-cyclopropyl-2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]acetamide
PubChem CID56802886
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC NameN-(cyclohexen-1-yl)-N-cyclopropyl-2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]acetamide
SMILESCC(O)CN1CCN(CC(=O)N(C2=CCCCC2)C2CC2)CC1C
InChIInChI=1S/C19H33N3O2/c1-15-12-20(10-11-21(15)13-16(2)23)14-19(24)22(18-8-9-18)17-6-4-3-5-7-17/h6,15-16,18,23H,3-5,7-14H2,1-2H3
InChIKeyKTYIHCIZIFSZOM-UHFFFAOYSA-N
XLogP1.82
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-yl)-N-cyclopropyl-2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]acetamide?
The IUPAC name of N-(cyclohexen-1-yl)-N-cyclopropyl-2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]acetamide (CID 56802886) is N-(cyclohexen-1-yl)-N-cyclopropyl-2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(cyclohexen-1-yl)-N-cyclopropyl-2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(cyclohexen-1-yl)-N-cyclopropyl-2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]acetamide is CC(O)CN1CCN(CC(=O)N(C2=CCCCC2)C2CC2)CC1C.
What is the InChIKey of N-(cyclohexen-1-yl)-N-cyclopropyl-2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]acetamide?
The InChIKey is KTYIHCIZIFSZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-15-12-20(10-11-21(15)13-16(2)23)14-19(24)22(18-8-9-18)17-6-4-3-5-7-17/h6,15-16,18,23H,3-5,7-14H2,1-2H3.
What are the key properties of N-(cyclohexen-1-yl)-N-cyclopropyl-2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]acetamide?
N-(cyclohexen-1-yl)-N-cyclopropyl-2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]acetamide has a molecular weight of 335.49 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-yl)-N-cyclopropyl-2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]acetamide is sourced from PubChem (CID 56802886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).