N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]cycloheptanecarboxamide

C23H40N4O2 — CID 57443202

IUPACN-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]cycloheptanecarboxamide
SMILESO=C(NC1CCN(CC(=O)N2CCN(C3CCC3)CC2)CC1)C1CCCCCC1
InChIInChI=1S/C23H40N4O2/c28-22(27-16-14-26(15-17-27)21-8-5-9-21)18-25-12-10-20(11-13-25)24-23(29)19-6-3-1-2-4-7-19/h19-21H,1-18H2,(H,24,29)
InChIKeyILBQYVBSMDUPRM-UHFFFAOYSA-N
MW404.60 g/mol
LogP2.23
Rot. Bonds5

About N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]cycloheptanecarboxamide

N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]cycloheptanecarboxamide (PubChem CID 57443202) has the molecular formula C23H40N4O2 and a molecular weight of 404.60 g/mol. Its IUPAC name is N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]cycloheptanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]cycloheptanecarboxamide
PubChem CID57443202
Molecular FormulaC23H40N4O2
Molecular Weight404.60 g/mol
Exact Mass404.32
IUPAC NameN-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]cycloheptanecarboxamide
SMILESO=C(NC1CCN(CC(=O)N2CCN(C3CCC3)CC2)CC1)C1CCCCCC1
InChIInChI=1S/C23H40N4O2/c28-22(27-16-14-26(15-17-27)21-8-5-9-21)18-25-12-10-20(11-13-25)24-23(29)19-6-3-1-2-4-7-19/h19-21H,1-18H2,(H,24,29)
InChIKeyILBQYVBSMDUPRM-UHFFFAOYSA-N
XLogP2.23
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.60
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]-2-cyclohexylacetamide
CID 57443186
N-(1-cyclopropylpiperidin-4-yl)cyclopentanecarboxamide
CID 110750777
2-(4-aminopiperidin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone;trihydrochloride
CID 75494461
N-[1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide
CID 86860953
N-[1-(2-methylprop-2-enyl)piperidin-4-yl]cyclohexanecarboxamide
CID 86860914
N-(1-cyclohexylpyrrolidin-3-yl)cyclohexanecarboxamide
CID 110482205
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 110822231
N-cyclopropyl-1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 94632422
cyclobutyl-(4-cycloheptylpiperazin-1-yl)methanone
CID 113074947
N-(1-cycloheptylpiperidin-3-yl)cyclopentanecarboxamide
CID 45199037
N-(1-cyclohexylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 119895220
N-[1-(2-cyanoacetyl)piperidin-4-yl]cyclopentanecarboxamide
CID 108922380

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]cycloheptanecarboxamide?
The IUPAC name of N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]cycloheptanecarboxamide (CID 57443202) is N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]cycloheptanecarboxamide.
What is the SMILES notation for N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]cycloheptanecarboxamide?
The canonical SMILES for N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]cycloheptanecarboxamide is O=C(NC1CCN(CC(=O)N2CCN(C3CCC3)CC2)CC1)C1CCCCCC1.
What is the InChIKey of N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]cycloheptanecarboxamide?
The InChIKey is ILBQYVBSMDUPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N4O2/c28-22(27-16-14-26(15-17-27)21-8-5-9-21)18-25-12-10-20(11-13-25)24-23(29)19-6-3-1-2-4-7-19/h19-21H,1-18H2,(H,24,29).
What are the key properties of N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]cycloheptanecarboxamide?
N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]cycloheptanecarboxamide has a molecular weight of 404.60 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]cycloheptanecarboxamide is sourced from PubChem (CID 57443202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).