N-cyclohexyl-4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]benzamide

C26H40N4O3 — CID 22321691

IUPACN-cyclohexyl-4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]benzamide
SMILESCOc1ccc(C(=O)N(CC(=O)N2CCN(C3CCN(C)CC3)CC2)C2CCCCC2)cc1
InChIInChI=1S/C26H40N4O3/c1-27-14-12-22(13-15-27)28-16-18-29(19-17-28)25(31)20-30(23-6-4-3-5-7-23)26(32)21-8-10-24(33-2)11-9-21/h8-11,22-23H,3-7,12-20H2,1-2H3
InChIKeyWDXBCNIPALBQGM-UHFFFAOYSA-N
MW456.63 g/mol
LogP2.71
Rot. Bonds6

About N-cyclohexyl-4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]benzamide

N-cyclohexyl-4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]benzamide (PubChem CID 22321691) has the molecular formula C26H40N4O3 and a molecular weight of 456.63 g/mol. Its IUPAC name is N-cyclohexyl-4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]benzamide
PubChem CID22321691
Molecular FormulaC26H40N4O3
Molecular Weight456.63 g/mol
Exact Mass456.31
IUPAC NameN-cyclohexyl-4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]benzamide
SMILESCOc1ccc(C(=O)N(CC(=O)N2CCN(C3CCN(C)CC3)CC2)C2CCCCC2)cc1
InChIInChI=1S/C26H40N4O3/c1-27-14-12-22(13-15-27)28-16-18-29(19-17-28)25(31)20-30(23-6-4-3-5-7-23)26(32)21-8-10-24(33-2)11-9-21/h8-11,22-23H,3-7,12-20H2,1-2H3
InChIKeyWDXBCNIPALBQGM-UHFFFAOYSA-N
XLogP2.71
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.63
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of N-cyclohexyl-4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]benzamide (CID 22321691) is N-cyclohexyl-4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-cyclohexyl-4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for N-cyclohexyl-4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]benzamide is COc1ccc(C(=O)N(CC(=O)N2CCN(C3CCN(C)CC3)CC2)C2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is WDXBCNIPALBQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N4O3/c1-27-14-12-22(13-15-27)28-16-18-29(19-17-28)25(31)20-30(23-6-4-3-5-7-23)26(32)21-8-10-24(33-2)11-9-21/h8-11,22-23H,3-7,12-20H2,1-2H3.
What are the key properties of N-cyclohexyl-4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]benzamide?
N-cyclohexyl-4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 456.63 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-methoxy-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 22321691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).